USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN : amide:sc= -0.0153 K(o=1.3,f=-0.84) USER MOD Set 1.2: A 29 ASN : amide:sc= 1.29 K(o=1.3,f=-0.93) USER MOD Single : A 1 MET CE :methyl 136:sc= -0.921 (180deg=-2.39) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -80:sc= 0.328 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0038 USER MOD Single : A 6 CYS SG : rot 150:sc= -2.56! USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.8!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 21 THR OG1 : rot 22:sc= -0.769! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : A 28 THR OG1 : rot 77:sc= 0.404 USER MOD Single : A 30 THR OG1 : rot 77:sc= 0.568 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 120:sc= -1.35 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00128 USER MOD Single : A 45 GLN : amide:sc= -0.631 K(o=-0.63,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -157:sc= 0 (180deg=-0.86) USER MOD Single : A 54 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.149) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -110:sc= -2.48! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 76:sc= 0.337 USER MOD Single : A 82 THR OG1 : rot 68:sc= 1.08 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.114 K(o=0.11,f=-3.4) USER MOD Single : A 98 TYR OH : rot 144:sc= 0.145 USER MOD Single : A 101 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.19) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.0823 X(o=-0.082,f=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.894 4.211 5.718 1.00 0.00 N ATOM 2 CA MET A 1 -14.086 4.121 4.487 1.00 0.00 C ATOM 3 C MET A 1 -13.259 2.845 4.489 1.00 0.00 C ATOM 4 O MET A 1 -12.532 2.566 5.446 1.00 0.00 O ATOM 5 CB MET A 1 -13.161 5.331 4.370 1.00 0.00 C ATOM 6 CG MET A 1 -12.389 5.375 3.062 1.00 0.00 C ATOM 7 SD MET A 1 -13.468 5.579 1.631 1.00 0.00 S ATOM 8 CE MET A 1 -14.337 7.086 2.067 1.00 0.00 C ATOM 0 H1 MET A 1 -15.454 5.087 5.703 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.534 3.393 5.774 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.265 4.216 6.546 1.00 0.00 H new ATOM 0 HA MET A 1 -14.763 4.105 3.633 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.752 6.242 4.465 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.455 5.321 5.200 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.673 6.196 3.094 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.814 4.455 2.952 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.389 7.741 1.197 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.346 6.841 2.398 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.805 7.593 2.872 1.00 0.00 H new ATOM 20 N THR A 2 -13.367 2.072 3.418 1.00 0.00 N ATOM 21 CA THR A 2 -12.600 0.843 3.291 1.00 0.00 C ATOM 22 C THR A 2 -11.310 1.113 2.536 1.00 0.00 C ATOM 23 O THR A 2 -11.135 2.196 1.968 1.00 0.00 O ATOM 24 CB THR A 2 -13.400 -0.256 2.568 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.843 0.219 1.292 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.597 -0.688 3.400 1.00 0.00 C ATOM 0 H THR A 2 -13.977 2.274 2.626 1.00 0.00 H new ATOM 0 HA THR A 2 -12.374 0.489 4.297 1.00 0.00 H new ATOM 0 HB THR A 2 -12.747 -1.117 2.426 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.641 0.775 1.409 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.147 -1.465 2.870 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.253 -1.077 4.358 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.250 0.168 3.570 1.00 0.00 H new ATOM 34 N PHE A 3 -10.404 0.146 2.529 1.00 0.00 N ATOM 35 CA PHE A 3 -9.148 0.303 1.822 1.00 0.00 C ATOM 36 C PHE A 3 -9.398 0.363 0.322 1.00 0.00 C ATOM 37 O PHE A 3 -8.787 1.167 -0.379 1.00 0.00 O ATOM 38 CB PHE A 3 -8.182 -0.835 2.160 1.00 0.00 C ATOM 39 CG PHE A 3 -6.814 -0.650 1.567 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.946 0.299 2.083 1.00 0.00 C ATOM 41 CD2 PHE A 3 -6.402 -1.410 0.485 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.692 0.483 1.536 1.00 0.00 C ATOM 43 CE2 PHE A 3 -5.149 -1.228 -0.070 1.00 0.00 C ATOM 44 CZ PHE A 3 -4.294 -0.281 0.457 1.00 0.00 C ATOM 0 H PHE A 3 -10.517 -0.750 3.003 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.688 1.238 2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -8.093 -0.917 3.243 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.601 -1.776 1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -6.255 0.902 2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -7.067 -2.153 0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -4.024 1.223 1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.840 -1.826 -0.915 1.00 0.00 H new ATOM 0 HZ PHE A 3 -3.314 -0.138 0.026 1.00 0.00 H new ATOM 54 N SER A 4 -10.316 -0.470 -0.158 1.00 0.00 N ATOM 55 CA SER A 4 -10.671 -0.484 -1.570 1.00 0.00 C ATOM 56 C SER A 4 -11.171 0.886 -2.022 1.00 0.00 C ATOM 57 O SER A 4 -10.739 1.410 -3.049 1.00 0.00 O ATOM 58 CB SER A 4 -11.749 -1.532 -1.830 1.00 0.00 C ATOM 59 OG SER A 4 -11.351 -2.802 -1.349 1.00 0.00 O ATOM 0 H SER A 4 -10.827 -1.144 0.412 1.00 0.00 H new ATOM 0 HA SER A 4 -9.776 -0.733 -2.140 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.678 -1.231 -1.345 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.952 -1.592 -2.899 1.00 0.00 H new ATOM 0 HG SER A 4 -12.059 -3.456 -1.526 1.00 0.00 H new ATOM 65 N GLU A 5 -12.076 1.461 -1.238 1.00 0.00 N ATOM 66 CA GLU A 5 -12.638 2.768 -1.536 1.00 0.00 C ATOM 67 C GLU A 5 -11.562 3.843 -1.505 1.00 0.00 C ATOM 68 O GLU A 5 -11.430 4.632 -2.439 1.00 0.00 O ATOM 69 CB GLU A 5 -13.725 3.104 -0.522 1.00 0.00 C ATOM 70 CG GLU A 5 -14.971 2.255 -0.652 1.00 0.00 C ATOM 71 CD GLU A 5 -15.984 2.579 0.420 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.842 2.057 1.550 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.915 3.357 0.146 1.00 0.00 O ATOM 0 H GLU A 5 -12.437 1.036 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.066 2.737 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.320 2.985 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.999 4.153 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.418 2.413 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.701 1.201 -0.590 1.00 0.00 H new ATOM 80 N CYS A 6 -10.780 3.844 -0.438 1.00 0.00 N ATOM 81 CA CYS A 6 -9.770 4.871 -0.224 1.00 0.00 C ATOM 82 C CYS A 6 -8.700 4.814 -1.306 1.00 0.00 C ATOM 83 O CYS A 6 -8.297 5.843 -1.851 1.00 0.00 O ATOM 84 CB CYS A 6 -9.131 4.689 1.147 1.00 0.00 C ATOM 85 SG CYS A 6 -8.215 6.132 1.726 1.00 0.00 S ATOM 0 H CYS A 6 -10.825 3.140 0.299 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.255 5.846 -0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.910 4.451 1.871 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.457 3.833 1.112 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.257 6.180 3.024 1.00 0.00 H new ATOM 91 N ALA A 7 -8.246 3.605 -1.603 1.00 0.00 N ATOM 92 CA ALA A 7 -7.263 3.392 -2.662 1.00 0.00 C ATOM 93 C ALA A 7 -7.799 3.892 -3.997 1.00 0.00 C ATOM 94 O ALA A 7 -7.101 4.582 -4.742 1.00 0.00 O ATOM 95 CB ALA A 7 -6.888 1.918 -2.761 1.00 0.00 C ATOM 0 H ALA A 7 -8.542 2.753 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.366 3.959 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.155 1.782 -3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.462 1.586 -1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.778 1.330 -2.984 1.00 0.00 H new ATOM 101 N ALA A 8 -9.051 3.557 -4.285 1.00 0.00 N ATOM 102 CA ALA A 8 -9.699 4.002 -5.510 1.00 0.00 C ATOM 103 C ALA A 8 -9.758 5.525 -5.568 1.00 0.00 C ATOM 104 O ALA A 8 -9.468 6.123 -6.600 1.00 0.00 O ATOM 105 CB ALA A 8 -11.096 3.414 -5.622 1.00 0.00 C ATOM 0 H ALA A 8 -9.638 2.977 -3.685 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.106 3.648 -6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.563 3.759 -6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.033 2.326 -5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.695 3.735 -4.770 1.00 0.00 H new ATOM 111 N LEU A 9 -10.123 6.145 -4.450 1.00 0.00 N ATOM 112 CA LEU A 9 -10.190 7.600 -4.365 1.00 0.00 C ATOM 113 C LEU A 9 -8.824 8.221 -4.626 1.00 0.00 C ATOM 114 O LEU A 9 -8.713 9.203 -5.357 1.00 0.00 O ATOM 115 CB LEU A 9 -10.712 8.041 -2.992 1.00 0.00 C ATOM 116 CG LEU A 9 -12.137 7.588 -2.661 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.536 8.053 -1.273 1.00 0.00 C ATOM 118 CD2 LEU A 9 -13.119 8.111 -3.699 1.00 0.00 C ATOM 0 H LEU A 9 -10.377 5.661 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.883 7.947 -5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.039 7.658 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.672 9.129 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.162 6.498 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.551 7.722 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.852 7.631 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.492 9.141 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.126 7.779 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.089 9.201 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.846 7.729 -4.683 1.00 0.00 H new ATOM 130 N TYR A 10 -7.785 7.636 -4.038 1.00 0.00 N ATOM 131 CA TYR A 10 -6.424 8.126 -4.228 1.00 0.00 C ATOM 132 C TYR A 10 -6.038 8.089 -5.699 1.00 0.00 C ATOM 133 O TYR A 10 -5.545 9.075 -6.251 1.00 0.00 O ATOM 134 CB TYR A 10 -5.428 7.288 -3.419 1.00 0.00 C ATOM 135 CG TYR A 10 -3.987 7.731 -3.586 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.535 8.909 -3.011 1.00 0.00 C ATOM 137 CD2 TYR A 10 -3.083 6.975 -4.324 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.229 9.325 -3.165 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.771 7.385 -4.480 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.352 8.562 -3.899 1.00 0.00 C ATOM 141 OH TYR A 10 -0.051 8.979 -4.052 1.00 0.00 O ATOM 0 H TYR A 10 -7.859 6.823 -3.427 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.391 9.157 -3.877 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.695 7.339 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.516 6.244 -3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.218 9.512 -2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.410 6.054 -4.783 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.897 10.247 -2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.079 6.786 -5.054 1.00 0.00 H new ATOM 0 HH TYR A 10 0.439 8.328 -4.597 1.00 0.00 H new ATOM 151 N ILE A 11 -6.273 6.949 -6.324 1.00 0.00 N ATOM 152 CA ILE A 11 -5.915 6.745 -7.720 1.00 0.00 C ATOM 153 C ILE A 11 -6.741 7.639 -8.645 1.00 0.00 C ATOM 154 O ILE A 11 -6.193 8.327 -9.506 1.00 0.00 O ATOM 155 CB ILE A 11 -6.095 5.265 -8.122 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.166 4.384 -7.280 1.00 0.00 C ATOM 157 CG2 ILE A 11 -5.815 5.071 -9.606 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.380 2.900 -7.479 1.00 0.00 C ATOM 0 H ILE A 11 -6.714 6.142 -5.883 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.865 7.017 -7.829 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.128 4.973 -7.934 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.132 4.628 -7.523 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.311 4.624 -6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.948 4.021 -9.867 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.506 5.680 -10.189 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.791 5.373 -9.826 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.685 2.345 -6.849 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.403 2.640 -7.207 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.206 2.644 -8.524 1.00 0.00 H new ATOM 170 N LYS A 12 -8.053 7.652 -8.447 1.00 0.00 N ATOM 171 CA LYS A 12 -8.950 8.413 -9.310 1.00 0.00 C ATOM 172 C LYS A 12 -8.730 9.916 -9.161 1.00 0.00 C ATOM 173 O LYS A 12 -8.844 10.662 -10.132 1.00 0.00 O ATOM 174 CB LYS A 12 -10.407 8.041 -9.029 1.00 0.00 C ATOM 175 CG LYS A 12 -10.726 6.599 -9.402 1.00 0.00 C ATOM 176 CD LYS A 12 -12.142 6.195 -9.009 1.00 0.00 C ATOM 177 CE LYS A 12 -13.196 6.971 -9.783 1.00 0.00 C ATOM 178 NZ LYS A 12 -14.552 6.397 -9.587 1.00 0.00 N ATOM 0 H LYS A 12 -8.521 7.144 -7.696 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.721 8.153 -10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.620 8.194 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.063 8.710 -9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.599 6.468 -10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.013 5.934 -8.914 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.276 5.128 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.282 6.361 -7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.191 8.012 -9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.947 6.964 -10.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.245 6.951 -10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.563 5.411 -9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.799 6.427 -8.577 1.00 0.00 H new ATOM 192 N ALA A 13 -8.386 10.359 -7.956 1.00 0.00 N ATOM 193 CA ALA A 13 -8.115 11.776 -7.715 1.00 0.00 C ATOM 194 C ALA A 13 -6.712 12.161 -8.189 1.00 0.00 C ATOM 195 O ALA A 13 -6.268 13.293 -7.989 1.00 0.00 O ATOM 196 CB ALA A 13 -8.289 12.117 -6.238 1.00 0.00 C ATOM 0 H ALA A 13 -8.288 9.763 -7.134 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.837 12.353 -8.292 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.082 13.176 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.312 11.898 -5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.597 11.521 -5.643 1.00 0.00 H new ATOM 202 N HIS A 14 -6.006 11.217 -8.805 1.00 0.00 N ATOM 203 CA HIS A 14 -4.678 11.485 -9.349 1.00 0.00 C ATOM 204 C HIS A 14 -4.551 10.962 -10.771 1.00 0.00 C ATOM 205 O HIS A 14 -3.482 11.044 -11.369 1.00 0.00 O ATOM 206 CB HIS A 14 -3.591 10.849 -8.475 1.00 0.00 C ATOM 207 CG HIS A 14 -3.350 11.561 -7.181 1.00 0.00 C ATOM 208 ND1 HIS A 14 -3.947 11.191 -5.997 1.00 0.00 N ATOM 209 CD2 HIS A 14 -2.557 12.615 -6.886 1.00 0.00 C ATOM 210 CE1 HIS A 14 -3.533 11.988 -5.030 1.00 0.00 C ATOM 211 NE2 HIS A 14 -2.688 12.861 -5.541 1.00 0.00 N ATOM 0 H HIS A 14 -6.331 10.260 -8.940 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.544 12.567 -9.358 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.869 9.817 -8.262 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.659 10.818 -9.039 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.606 10.421 -5.885 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.936 13.162 -7.579 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.836 11.934 -3.995 1.00 0.00 H new ATOM 220 N ARG A 15 -5.641 10.437 -11.322 1.00 0.00 N ATOM 221 CA ARG A 15 -5.604 9.869 -12.665 1.00 0.00 C ATOM 222 C ARG A 15 -5.377 10.964 -13.701 1.00 0.00 C ATOM 223 O ARG A 15 -4.809 10.721 -14.760 1.00 0.00 O ATOM 224 CB ARG A 15 -6.888 9.086 -12.971 1.00 0.00 C ATOM 225 CG ARG A 15 -8.147 9.937 -13.059 1.00 0.00 C ATOM 226 CD ARG A 15 -9.360 9.090 -13.420 1.00 0.00 C ATOM 227 NE ARG A 15 -10.599 9.870 -13.441 1.00 0.00 N ATOM 228 CZ ARG A 15 -11.630 9.610 -14.252 1.00 0.00 C ATOM 229 NH1 ARG A 15 -11.576 8.597 -15.108 1.00 0.00 N ATOM 230 NH2 ARG A 15 -12.725 10.354 -14.191 1.00 0.00 N ATOM 0 H ARG A 15 -6.552 10.393 -10.865 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.769 9.170 -12.714 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.758 8.556 -13.914 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.030 8.331 -12.198 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.319 10.436 -12.105 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.010 10.718 -13.807 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.204 8.635 -14.398 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.458 8.276 -12.702 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.681 10.658 -12.799 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.743 8.009 -15.151 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.367 8.406 -15.723 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.781 11.125 -13.525 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.511 10.156 -14.810 1.00 0.00 H new ATOM 244 N SER A 16 -5.806 12.175 -13.370 1.00 0.00 N ATOM 245 CA SER A 16 -5.598 13.329 -14.219 1.00 0.00 C ATOM 246 C SER A 16 -4.124 13.731 -14.219 1.00 0.00 C ATOM 247 O SER A 16 -3.626 14.335 -15.170 1.00 0.00 O ATOM 248 CB SER A 16 -6.454 14.468 -13.691 1.00 0.00 C ATOM 249 OG SER A 16 -7.772 14.014 -13.419 1.00 0.00 O ATOM 0 H SER A 16 -6.307 12.379 -12.505 1.00 0.00 H new ATOM 0 HA SER A 16 -5.881 13.092 -15.245 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.009 14.875 -12.783 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.485 15.277 -14.421 1.00 0.00 H new ATOM 0 HG SER A 16 -8.311 14.758 -13.078 1.00 0.00 H new ATOM 255 N SER A 17 -3.437 13.386 -13.136 1.00 0.00 N ATOM 256 CA SER A 17 -2.024 13.678 -12.982 1.00 0.00 C ATOM 257 C SER A 17 -1.177 12.601 -13.656 1.00 0.00 C ATOM 258 O SER A 17 0.008 12.797 -13.919 1.00 0.00 O ATOM 259 CB SER A 17 -1.692 13.755 -11.492 1.00 0.00 C ATOM 260 OG SER A 17 -2.635 14.561 -10.804 1.00 0.00 O ATOM 0 H SER A 17 -3.848 12.896 -12.342 1.00 0.00 H new ATOM 0 HA SER A 17 -1.799 14.632 -13.458 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.684 12.752 -11.065 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.691 14.166 -11.359 1.00 0.00 H new ATOM 0 HG SER A 17 -2.404 14.595 -9.852 1.00 0.00 H new ATOM 266 N TRP A 18 -1.801 11.473 -13.947 1.00 0.00 N ATOM 267 CA TRP A 18 -1.118 10.355 -14.570 1.00 0.00 C ATOM 268 C TRP A 18 -1.493 10.246 -16.040 1.00 0.00 C ATOM 269 O TRP A 18 -1.766 9.151 -16.541 1.00 0.00 O ATOM 270 CB TRP A 18 -1.448 9.045 -13.844 1.00 0.00 C ATOM 271 CG TRP A 18 -0.760 8.899 -12.522 1.00 0.00 C ATOM 272 CD1 TRP A 18 0.524 9.256 -12.229 1.00 0.00 C ATOM 273 CD2 TRP A 18 -1.306 8.337 -11.320 1.00 0.00 C ATOM 274 NE1 TRP A 18 0.808 8.963 -10.919 1.00 0.00 N ATOM 275 CE2 TRP A 18 -0.299 8.397 -10.338 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.550 7.794 -10.978 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -0.498 7.934 -9.039 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.743 7.333 -9.688 1.00 0.00 C ATOM 279 CH2 TRP A 18 -1.724 7.406 -8.733 1.00 0.00 C ATOM 0 H TRP A 18 -2.790 11.307 -13.759 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.045 10.534 -14.497 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.526 8.986 -13.691 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.170 8.206 -14.483 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.216 9.704 -12.927 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.698 9.138 -10.452 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.344 7.736 -11.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.287 7.990 -8.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.698 6.909 -9.414 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -1.908 7.039 -7.734 1.00 0.00 H new ATOM 290 N LYS A 19 -1.516 11.385 -16.726 1.00 0.00 N ATOM 291 CA LYS A 19 -1.731 11.416 -18.148 1.00 0.00 C ATOM 292 C LYS A 19 -3.201 11.159 -18.480 1.00 0.00 C ATOM 293 O LYS A 19 -4.034 11.440 -17.620 1.00 0.00 O ATOM 294 CB LYS A 19 -0.657 10.648 -18.897 1.00 0.00 C ATOM 295 CG LYS A 19 0.697 11.349 -18.818 1.00 0.00 C ATOM 296 CD LYS A 19 1.711 10.776 -19.791 1.00 0.00 C ATOM 297 CE LYS A 19 1.232 10.888 -21.229 1.00 0.00 C ATOM 298 NZ LYS A 19 2.290 10.502 -22.200 1.00 0.00 N ATOM 0 H LYS A 19 -1.385 12.304 -16.303 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.580 12.418 -18.549 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.572 9.644 -18.482 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.950 10.538 -19.941 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.564 12.411 -19.022 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.086 11.266 -17.803 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.659 11.302 -19.681 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.897 9.730 -19.549 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.359 10.251 -21.371 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.914 11.912 -21.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.922 10.593 -23.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.113 11.126 -22.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.575 9.517 -22.029 1.00 0.00 H new ATOM 312 N ASN A 20 -3.616 10.660 -19.645 1.00 0.00 N ATOM 313 CA ASN A 20 -3.450 9.279 -20.197 1.00 0.00 C ATOM 314 C ASN A 20 -2.096 8.594 -20.202 1.00 0.00 C ATOM 315 O ASN A 20 -1.288 8.731 -21.124 1.00 0.00 O ATOM 316 CB ASN A 20 -4.012 9.225 -21.616 1.00 0.00 C ATOM 317 CG ASN A 20 -5.522 9.339 -21.650 1.00 0.00 C ATOM 318 OD1 ASN A 20 -6.209 8.949 -20.707 1.00 0.00 O ATOM 319 ND2 ASN A 20 -6.049 9.879 -22.735 1.00 0.00 N ATOM 0 H ASN A 20 -4.126 11.252 -20.300 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.997 8.702 -19.451 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.577 10.032 -22.206 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.711 8.289 -22.086 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.061 9.985 -22.812 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.444 10.190 -23.495 1.00 0.00 H new ATOM 326 N THR A 21 -1.893 7.851 -19.129 1.00 0.00 N ATOM 327 CA THR A 21 -0.968 6.718 -19.090 1.00 0.00 C ATOM 328 C THR A 21 -1.577 5.609 -18.236 1.00 0.00 C ATOM 329 O THR A 21 -2.477 5.866 -17.433 1.00 0.00 O ATOM 330 CB THR A 21 0.441 7.052 -18.551 1.00 0.00 C ATOM 331 OG1 THR A 21 0.382 8.048 -17.525 1.00 0.00 O ATOM 332 CG2 THR A 21 1.361 7.500 -19.674 1.00 0.00 C ATOM 0 H THR A 21 -2.371 8.015 -18.243 1.00 0.00 H new ATOM 0 HA THR A 21 -0.828 6.408 -20.126 1.00 0.00 H new ATOM 0 HB THR A 21 0.850 6.141 -18.114 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.519 8.067 -17.139 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.346 7.729 -19.268 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.449 6.703 -20.412 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.949 8.390 -20.149 1.00 0.00 H new ATOM 340 N LYS A 22 -1.080 4.390 -18.395 1.00 0.00 N ATOM 341 CA LYS A 22 -1.664 3.224 -17.729 1.00 0.00 C ATOM 342 C LYS A 22 -1.357 3.186 -16.234 1.00 0.00 C ATOM 343 O LYS A 22 -1.791 2.271 -15.540 1.00 0.00 O ATOM 344 CB LYS A 22 -1.163 1.931 -18.369 1.00 0.00 C ATOM 345 CG LYS A 22 -1.555 1.767 -19.827 1.00 0.00 C ATOM 346 CD LYS A 22 -1.182 0.388 -20.350 1.00 0.00 C ATOM 347 CE LYS A 22 0.312 0.121 -20.233 1.00 0.00 C ATOM 348 NZ LYS A 22 0.662 -1.266 -20.640 1.00 0.00 N ATOM 0 H LYS A 22 -0.272 4.178 -18.980 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.744 3.312 -17.852 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.076 1.897 -18.290 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.550 1.084 -17.802 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.628 1.921 -19.936 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.060 2.531 -20.427 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.731 -0.372 -19.794 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.486 0.301 -21.393 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.857 0.830 -20.856 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.631 0.289 -19.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.688 -1.407 -20.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.162 -1.944 -20.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.381 -1.419 -21.630 1.00 0.00 H new ATOM 362 N HIS A 23 -0.632 4.187 -15.739 1.00 0.00 N ATOM 363 CA HIS A 23 -0.199 4.215 -14.336 1.00 0.00 C ATOM 364 C HIS A 23 -1.375 4.060 -13.379 1.00 0.00 C ATOM 365 O HIS A 23 -1.315 3.258 -12.453 1.00 0.00 O ATOM 366 CB HIS A 23 0.558 5.509 -14.015 1.00 0.00 C ATOM 367 CG HIS A 23 1.989 5.506 -14.464 1.00 0.00 C ATOM 368 ND1 HIS A 23 3.053 5.398 -13.593 1.00 0.00 N ATOM 369 CD2 HIS A 23 2.531 5.596 -15.701 1.00 0.00 C ATOM 370 CE1 HIS A 23 4.184 5.425 -14.275 1.00 0.00 C ATOM 371 NE2 HIS A 23 3.894 5.545 -15.556 1.00 0.00 N ATOM 0 H HIS A 23 -0.330 4.993 -16.287 1.00 0.00 H new ATOM 0 HA HIS A 23 0.472 3.367 -14.198 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.042 6.346 -14.486 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.526 5.679 -12.939 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.990 5.691 -16.631 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.177 5.360 -13.855 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.573 5.592 -16.316 1.00 0.00 H new ATOM 380 N ALA A 24 -2.447 4.811 -13.617 1.00 0.00 N ATOM 381 CA ALA A 24 -3.624 4.760 -12.751 1.00 0.00 C ATOM 382 C ALA A 24 -4.211 3.349 -12.692 1.00 0.00 C ATOM 383 O ALA A 24 -4.562 2.848 -11.621 1.00 0.00 O ATOM 384 CB ALA A 24 -4.675 5.751 -13.233 1.00 0.00 C ATOM 0 H ALA A 24 -2.526 5.461 -14.399 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.312 5.034 -11.743 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.546 5.703 -12.580 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.261 6.759 -13.213 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.971 5.501 -14.252 1.00 0.00 H new ATOM 390 N ASP A 25 -4.295 2.706 -13.847 1.00 0.00 N ATOM 391 CA ASP A 25 -4.869 1.371 -13.937 1.00 0.00 C ATOM 392 C ASP A 25 -3.921 0.339 -13.334 1.00 0.00 C ATOM 393 O ASP A 25 -4.339 -0.527 -12.569 1.00 0.00 O ATOM 394 CB ASP A 25 -5.168 1.030 -15.397 1.00 0.00 C ATOM 395 CG ASP A 25 -5.962 -0.253 -15.555 1.00 0.00 C ATOM 396 OD1 ASP A 25 -7.166 -0.261 -15.218 1.00 0.00 O ATOM 397 OD2 ASP A 25 -5.396 -1.250 -16.047 1.00 0.00 O ATOM 0 H ASP A 25 -3.973 3.087 -14.736 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.801 1.351 -13.371 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.722 1.852 -15.850 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.229 0.939 -15.943 1.00 0.00 H new ATOM 402 N GLN A 26 -2.638 0.463 -13.663 1.00 0.00 N ATOM 403 CA GLN A 26 -1.610 -0.437 -13.152 1.00 0.00 C ATOM 404 C GLN A 26 -1.538 -0.394 -11.627 1.00 0.00 C ATOM 405 O GLN A 26 -1.384 -1.433 -10.977 1.00 0.00 O ATOM 406 CB GLN A 26 -0.258 -0.067 -13.754 1.00 0.00 C ATOM 407 CG GLN A 26 -0.166 -0.340 -15.246 1.00 0.00 C ATOM 408 CD GLN A 26 -0.340 -1.809 -15.580 1.00 0.00 C ATOM 409 OE1 GLN A 26 -1.453 -2.284 -15.807 1.00 0.00 O ATOM 410 NE2 GLN A 26 0.763 -2.537 -15.629 1.00 0.00 N ATOM 0 H GLN A 26 -2.284 1.187 -14.288 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.872 -1.454 -13.443 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.065 0.991 -13.573 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.525 -0.626 -13.241 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.928 0.240 -15.766 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.801 0.001 -15.615 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.667 -2.107 -15.434 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.710 -3.529 -15.861 1.00 0.00 H new ATOM 419 N TRP A 27 -1.646 0.806 -11.060 1.00 0.00 N ATOM 420 CA TRP A 27 -1.710 0.963 -9.609 1.00 0.00 C ATOM 421 C TRP A 27 -2.850 0.128 -9.041 1.00 0.00 C ATOM 422 O TRP A 27 -2.665 -0.638 -8.092 1.00 0.00 O ATOM 423 CB TRP A 27 -1.911 2.434 -9.223 1.00 0.00 C ATOM 424 CG TRP A 27 -0.639 3.197 -9.019 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.297 3.509 -9.959 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.178 3.762 -7.787 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.318 4.228 -9.387 1.00 0.00 N ATOM 428 CE2 TRP A 27 1.049 4.398 -8.053 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.684 3.792 -6.484 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.776 5.055 -7.062 1.00 0.00 C ATOM 431 CZ3 TRP A 27 0.037 4.445 -5.504 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.257 5.068 -5.797 1.00 0.00 C ATOM 0 H TRP A 27 -1.691 1.681 -11.582 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.763 0.620 -9.191 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.495 2.925 -10.002 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.499 2.480 -8.307 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.244 3.231 -11.001 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.142 4.579 -9.875 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.623 3.313 -6.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.716 5.537 -7.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.346 4.476 -4.495 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.798 5.569 -5.008 1.00 0.00 H new ATOM 443 N THR A 28 -4.017 0.263 -9.656 1.00 0.00 N ATOM 444 CA THR A 28 -5.204 -0.456 -9.226 1.00 0.00 C ATOM 445 C THR A 28 -5.008 -1.965 -9.350 1.00 0.00 C ATOM 446 O THR A 28 -5.219 -2.707 -8.394 1.00 0.00 O ATOM 447 CB THR A 28 -6.429 -0.036 -10.063 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.552 1.393 -10.072 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.703 -0.651 -9.509 1.00 0.00 C ATOM 0 H THR A 28 -4.165 0.870 -10.462 1.00 0.00 H new ATOM 0 HA THR A 28 -5.376 -0.204 -8.179 1.00 0.00 H new ATOM 0 HB THR A 28 -6.282 -0.397 -11.081 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.896 1.774 -10.693 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.552 -0.339 -10.117 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.621 -1.738 -9.530 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.851 -0.318 -8.482 1.00 0.00 H new ATOM 457 N ASN A 29 -4.565 -2.397 -10.527 1.00 0.00 N ATOM 458 CA ASN A 29 -4.449 -3.809 -10.855 1.00 0.00 C ATOM 459 C ASN A 29 -3.614 -4.574 -9.837 1.00 0.00 C ATOM 460 O ASN A 29 -4.019 -5.636 -9.368 1.00 0.00 O ATOM 461 CB ASN A 29 -3.822 -3.958 -12.239 1.00 0.00 C ATOM 462 CG ASN A 29 -4.723 -3.474 -13.356 1.00 0.00 C ATOM 463 OD1 ASN A 29 -5.952 -3.551 -13.267 1.00 0.00 O ATOM 464 ND2 ASN A 29 -4.118 -2.970 -14.418 1.00 0.00 N ATOM 0 H ASN A 29 -4.276 -1.773 -11.281 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.453 -4.233 -10.841 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.886 -3.401 -12.269 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.575 -5.006 -12.408 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.670 -2.626 -15.204 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.100 -2.925 -14.451 1.00 0.00 H new ATOM 471 N THR A 30 -2.453 -4.038 -9.494 1.00 0.00 N ATOM 472 CA THR A 30 -1.548 -4.723 -8.586 1.00 0.00 C ATOM 473 C THR A 30 -2.152 -4.845 -7.184 1.00 0.00 C ATOM 474 O THR A 30 -2.205 -5.937 -6.612 1.00 0.00 O ATOM 475 CB THR A 30 -0.201 -3.987 -8.504 1.00 0.00 C ATOM 476 OG1 THR A 30 0.248 -3.643 -9.824 1.00 0.00 O ATOM 477 CG2 THR A 30 0.852 -4.844 -7.819 1.00 0.00 C ATOM 0 H THR A 30 -2.117 -3.135 -9.829 1.00 0.00 H new ATOM 0 HA THR A 30 -1.386 -5.725 -8.982 1.00 0.00 H new ATOM 0 HB THR A 30 -0.346 -3.081 -7.915 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.253 -2.865 -10.147 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.794 -4.297 -7.776 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.524 -5.084 -6.807 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.993 -5.766 -8.382 1.00 0.00 H new ATOM 485 N ILE A 31 -2.637 -3.726 -6.651 1.00 0.00 N ATOM 486 CA ILE A 31 -3.168 -3.693 -5.292 1.00 0.00 C ATOM 487 C ILE A 31 -4.450 -4.516 -5.182 1.00 0.00 C ATOM 488 O ILE A 31 -4.621 -5.284 -4.232 1.00 0.00 O ATOM 489 CB ILE A 31 -3.439 -2.244 -4.832 1.00 0.00 C ATOM 490 CG1 ILE A 31 -2.148 -1.419 -4.894 1.00 0.00 C ATOM 491 CG2 ILE A 31 -4.015 -2.233 -3.420 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.340 0.046 -4.560 1.00 0.00 C ATOM 0 H ILE A 31 -2.673 -2.831 -7.140 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.412 -4.131 -4.640 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.170 -1.795 -5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.421 -1.847 -4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.724 -1.501 -5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.200 -1.204 -3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.951 -2.791 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.306 -2.696 -2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.382 0.563 -4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.041 0.491 -5.266 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.734 0.140 -3.548 1.00 0.00 H new ATOM 504 N LYS A 32 -5.322 -4.376 -6.178 1.00 0.00 N ATOM 505 CA LYS A 32 -6.603 -5.077 -6.205 1.00 0.00 C ATOM 506 C LYS A 32 -6.380 -6.587 -6.160 1.00 0.00 C ATOM 507 O LYS A 32 -7.153 -7.327 -5.550 1.00 0.00 O ATOM 508 CB LYS A 32 -7.366 -4.677 -7.482 1.00 0.00 C ATOM 509 CG LYS A 32 -8.866 -4.960 -7.475 1.00 0.00 C ATOM 510 CD LYS A 32 -9.181 -6.428 -7.708 1.00 0.00 C ATOM 511 CE LYS A 32 -10.667 -6.646 -7.934 1.00 0.00 C ATOM 512 NZ LYS A 32 -11.003 -8.087 -8.048 1.00 0.00 N ATOM 0 H LYS A 32 -5.161 -3.775 -6.987 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.193 -4.798 -5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.217 -3.611 -7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.920 -5.200 -8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.287 -4.648 -6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.349 -4.361 -8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.623 -6.789 -8.572 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.852 -7.013 -6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.228 -6.206 -7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.976 -6.128 -8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.026 -8.194 -8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.487 -8.501 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.732 -8.577 -7.172 1.00 0.00 H new ATOM 526 N THR A 33 -5.296 -7.027 -6.780 1.00 0.00 N ATOM 527 CA THR A 33 -4.994 -8.443 -6.884 1.00 0.00 C ATOM 528 C THR A 33 -4.343 -8.984 -5.605 1.00 0.00 C ATOM 529 O THR A 33 -4.810 -9.967 -5.032 1.00 0.00 O ATOM 530 CB THR A 33 -4.062 -8.692 -8.085 1.00 0.00 C ATOM 531 OG1 THR A 33 -4.672 -8.191 -9.283 1.00 0.00 O ATOM 532 CG2 THR A 33 -3.756 -10.173 -8.254 1.00 0.00 C ATOM 0 H THR A 33 -4.607 -6.417 -7.221 1.00 0.00 H new ATOM 0 HA THR A 33 -5.936 -8.972 -7.028 1.00 0.00 H new ATOM 0 HB THR A 33 -3.124 -8.169 -7.897 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.380 -7.269 -9.438 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.096 -10.313 -9.110 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.268 -10.549 -7.355 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.684 -10.720 -8.418 1.00 0.00 H new ATOM 540 N TYR A 34 -3.278 -8.332 -5.150 1.00 0.00 N ATOM 541 CA TYR A 34 -2.497 -8.844 -4.025 1.00 0.00 C ATOM 542 C TYR A 34 -3.150 -8.567 -2.672 1.00 0.00 C ATOM 543 O TYR A 34 -3.279 -9.469 -1.844 1.00 0.00 O ATOM 544 CB TYR A 34 -1.083 -8.265 -4.048 1.00 0.00 C ATOM 545 CG TYR A 34 -0.209 -8.840 -5.140 1.00 0.00 C ATOM 546 CD1 TYR A 34 0.438 -10.059 -4.967 1.00 0.00 C ATOM 547 CD2 TYR A 34 -0.027 -8.165 -6.340 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.239 -10.587 -5.961 1.00 0.00 C ATOM 549 CE2 TYR A 34 0.772 -8.687 -7.338 1.00 0.00 C ATOM 550 CZ TYR A 34 1.402 -9.898 -7.143 1.00 0.00 C ATOM 551 OH TYR A 34 2.196 -10.424 -8.133 1.00 0.00 O ATOM 0 H TYR A 34 -2.936 -7.453 -5.539 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.454 -9.926 -4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.144 -7.184 -4.175 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.610 -8.446 -3.083 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.312 -10.601 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.519 -7.216 -6.495 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.735 -11.535 -5.812 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.903 -8.150 -8.266 1.00 0.00 H new ATOM 0 HH TYR A 34 2.206 -9.817 -8.902 1.00 0.00 H new ATOM 561 N CYS A 35 -3.557 -7.326 -2.444 1.00 0.00 N ATOM 562 CA CYS A 35 -4.045 -6.924 -1.128 1.00 0.00 C ATOM 563 C CYS A 35 -5.564 -6.792 -1.106 1.00 0.00 C ATOM 564 O CYS A 35 -6.162 -6.665 -0.034 1.00 0.00 O ATOM 565 CB CYS A 35 -3.395 -5.602 -0.707 1.00 0.00 C ATOM 566 SG CYS A 35 -1.590 -5.669 -0.621 1.00 0.00 S ATOM 0 H CYS A 35 -3.560 -6.585 -3.145 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.770 -7.705 -0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.687 -4.824 -1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.785 -5.311 0.268 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.084 -4.804 -1.449 1.00 0.00 H new ATOM 572 N GLY A 36 -6.175 -6.843 -2.286 1.00 0.00 N ATOM 573 CA GLY A 36 -7.618 -6.679 -2.408 1.00 0.00 C ATOM 574 C GLY A 36 -8.415 -7.619 -1.517 1.00 0.00 C ATOM 575 O GLY A 36 -9.086 -7.169 -0.592 1.00 0.00 O ATOM 0 H GLY A 36 -5.692 -6.997 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.880 -5.650 -2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.907 -6.843 -3.446 1.00 0.00 H new ATOM 579 N PRO A 37 -8.351 -8.941 -1.759 1.00 0.00 N ATOM 580 CA PRO A 37 -9.109 -9.929 -0.975 1.00 0.00 C ATOM 581 C PRO A 37 -8.682 -9.982 0.493 1.00 0.00 C ATOM 582 O PRO A 37 -9.388 -10.541 1.334 1.00 0.00 O ATOM 583 CB PRO A 37 -8.793 -11.264 -1.666 1.00 0.00 C ATOM 584 CG PRO A 37 -8.260 -10.897 -3.007 1.00 0.00 C ATOM 585 CD PRO A 37 -7.563 -9.582 -2.824 1.00 0.00 C ATOM 0 HA PRO A 37 -10.170 -9.682 -0.951 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.062 -11.838 -1.096 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.686 -11.882 -1.754 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.571 -11.657 -3.375 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.064 -10.815 -3.738 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.521 -9.714 -2.533 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.566 -8.992 -3.740 1.00 0.00 H new ATOM 593 N VAL A 38 -7.537 -9.385 0.802 1.00 0.00 N ATOM 594 CA VAL A 38 -6.984 -9.455 2.145 1.00 0.00 C ATOM 595 C VAL A 38 -7.450 -8.275 2.999 1.00 0.00 C ATOM 596 O VAL A 38 -8.228 -8.448 3.938 1.00 0.00 O ATOM 597 CB VAL A 38 -5.440 -9.492 2.124 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.884 -9.712 3.525 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.942 -10.571 1.173 1.00 0.00 C ATOM 0 H VAL A 38 -6.976 -8.848 0.141 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.350 -10.382 2.586 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.082 -8.527 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.795 -9.734 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.206 -8.900 4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.252 -10.660 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.852 -10.581 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.314 -11.543 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.303 -10.363 0.166 1.00 0.00 H new ATOM 609 N ILE A 39 -6.993 -7.075 2.659 1.00 0.00 N ATOM 610 CA ILE A 39 -7.263 -5.900 3.486 1.00 0.00 C ATOM 611 C ILE A 39 -8.147 -4.885 2.766 1.00 0.00 C ATOM 612 O ILE A 39 -8.436 -3.820 3.306 1.00 0.00 O ATOM 613 CB ILE A 39 -5.957 -5.202 3.927 1.00 0.00 C ATOM 614 CG1 ILE A 39 -5.112 -4.822 2.704 1.00 0.00 C ATOM 615 CG2 ILE A 39 -5.167 -6.097 4.875 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.841 -4.071 3.046 1.00 0.00 C ATOM 0 H ILE A 39 -6.438 -6.889 1.824 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.791 -6.266 4.366 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.216 -4.287 4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.851 -5.729 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.715 -4.210 2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.250 -5.589 5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.769 -6.312 5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.916 -7.030 4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.298 -3.838 2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.093 -3.146 3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.216 -4.689 3.691 1.00 0.00 H new ATOM 628 N GLY A 40 -8.581 -5.234 1.562 1.00 0.00 N ATOM 629 CA GLY A 40 -9.404 -4.341 0.763 1.00 0.00 C ATOM 630 C GLY A 40 -10.703 -3.935 1.448 1.00 0.00 C ATOM 631 O GLY A 40 -10.904 -2.754 1.739 1.00 0.00 O ATOM 0 H GLY A 40 -8.376 -6.129 1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.831 -3.444 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.639 -4.826 -0.184 1.00 0.00 H new ATOM 635 N PRO A 41 -11.614 -4.893 1.712 1.00 0.00 N ATOM 636 CA PRO A 41 -12.920 -4.611 2.325 1.00 0.00 C ATOM 637 C PRO A 41 -12.821 -4.204 3.797 1.00 0.00 C ATOM 638 O PRO A 41 -13.839 -3.987 4.459 1.00 0.00 O ATOM 639 CB PRO A 41 -13.684 -5.938 2.193 1.00 0.00 C ATOM 640 CG PRO A 41 -12.880 -6.775 1.255 1.00 0.00 C ATOM 641 CD PRO A 41 -11.462 -6.323 1.418 1.00 0.00 C ATOM 0 HA PRO A 41 -13.407 -3.768 1.835 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.790 -6.427 3.161 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.690 -5.774 1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.982 -7.834 1.491 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.217 -6.643 0.227 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.958 -6.852 2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.876 -6.491 0.514 1.00 0.00 H new ATOM 649 N LEU A 42 -11.604 -4.114 4.313 1.00 0.00 N ATOM 650 CA LEU A 42 -11.390 -3.684 5.686 1.00 0.00 C ATOM 651 C LEU A 42 -11.323 -2.165 5.747 1.00 0.00 C ATOM 652 O LEU A 42 -11.113 -1.503 4.728 1.00 0.00 O ATOM 653 CB LEU A 42 -10.099 -4.289 6.245 1.00 0.00 C ATOM 654 CG LEU A 42 -10.060 -5.818 6.301 1.00 0.00 C ATOM 655 CD1 LEU A 42 -8.734 -6.293 6.876 1.00 0.00 C ATOM 656 CD2 LEU A 42 -11.218 -6.352 7.129 1.00 0.00 C ATOM 0 H LEU A 42 -10.750 -4.333 3.801 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.225 -4.031 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.263 -3.943 5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.943 -3.902 7.252 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.157 -6.203 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.721 -7.382 6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.917 -5.940 6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.612 -5.898 7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.173 -7.441 7.157 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.151 -5.960 8.144 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.161 -6.039 6.680 1.00 0.00 H new ATOM 668 N SER A 43 -11.518 -1.615 6.934 1.00 0.00 N ATOM 669 CA SER A 43 -11.451 -0.194 7.137 1.00 0.00 C ATOM 670 C SER A 43 -10.023 0.311 6.925 1.00 0.00 C ATOM 671 O SER A 43 -9.072 -0.257 7.463 1.00 0.00 O ATOM 672 CB SER A 43 -11.927 0.101 8.549 1.00 0.00 C ATOM 673 OG SER A 43 -13.134 -0.593 8.841 1.00 0.00 O ATOM 0 H SER A 43 -11.727 -2.149 7.778 1.00 0.00 H new ATOM 0 HA SER A 43 -12.087 0.321 6.417 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.156 -0.188 9.263 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.084 1.173 8.666 1.00 0.00 H new ATOM 0 HG SER A 43 -13.417 -0.387 9.756 1.00 0.00 H new ATOM 679 N VAL A 44 -9.877 1.380 6.147 1.00 0.00 N ATOM 680 CA VAL A 44 -8.556 1.916 5.814 1.00 0.00 C ATOM 681 C VAL A 44 -7.844 2.444 7.064 1.00 0.00 C ATOM 682 O VAL A 44 -6.616 2.506 7.123 1.00 0.00 O ATOM 683 CB VAL A 44 -8.658 3.035 4.750 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.423 4.241 5.286 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.277 3.436 4.247 1.00 0.00 C ATOM 0 H VAL A 44 -10.656 1.894 5.734 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.968 1.097 5.399 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.220 2.640 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.477 5.009 4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.431 3.937 5.567 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.908 4.640 6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.376 4.224 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.678 3.800 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.788 2.571 3.799 1.00 0.00 H new ATOM 695 N GLN A 45 -8.627 2.812 8.067 1.00 0.00 N ATOM 696 CA GLN A 45 -8.091 3.303 9.318 1.00 0.00 C ATOM 697 C GLN A 45 -7.590 2.147 10.186 1.00 0.00 C ATOM 698 O GLN A 45 -6.775 2.340 11.090 1.00 0.00 O ATOM 699 CB GLN A 45 -9.176 4.087 10.045 1.00 0.00 C ATOM 700 CG GLN A 45 -10.446 3.289 10.287 1.00 0.00 C ATOM 701 CD GLN A 45 -11.591 4.136 10.806 1.00 0.00 C ATOM 702 OE1 GLN A 45 -12.756 3.840 10.548 1.00 0.00 O ATOM 703 NE2 GLN A 45 -11.276 5.200 11.525 1.00 0.00 N ATOM 0 H GLN A 45 -9.646 2.777 8.033 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.242 3.956 9.116 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.785 4.430 11.003 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.421 4.976 9.464 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.749 2.809 9.356 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.237 2.493 11.002 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.298 5.413 11.718 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.012 5.807 11.886 1.00 0.00 H new ATOM 712 N ASP A 46 -8.065 0.943 9.885 1.00 0.00 N ATOM 713 CA ASP A 46 -7.725 -0.243 10.665 1.00 0.00 C ATOM 714 C ASP A 46 -6.491 -0.932 10.106 1.00 0.00 C ATOM 715 O ASP A 46 -5.994 -1.896 10.686 1.00 0.00 O ATOM 716 CB ASP A 46 -8.898 -1.223 10.680 1.00 0.00 C ATOM 717 CG ASP A 46 -9.995 -0.812 11.639 1.00 0.00 C ATOM 718 OD1 ASP A 46 -10.662 0.210 11.390 1.00 0.00 O ATOM 719 OD2 ASP A 46 -10.214 -1.523 12.640 1.00 0.00 O ATOM 0 H ASP A 46 -8.691 0.762 9.101 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.510 0.079 11.684 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.312 -1.302 9.675 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.534 -2.213 10.954 1.00 0.00 H new ATOM 724 N VAL A 47 -6.004 -0.443 8.973 1.00 0.00 N ATOM 725 CA VAL A 47 -4.798 -0.991 8.371 1.00 0.00 C ATOM 726 C VAL A 47 -3.603 -0.758 9.289 1.00 0.00 C ATOM 727 O VAL A 47 -3.180 0.382 9.503 1.00 0.00 O ATOM 728 CB VAL A 47 -4.512 -0.373 6.985 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.253 -0.967 6.373 1.00 0.00 C ATOM 730 CG2 VAL A 47 -5.698 -0.571 6.054 1.00 0.00 C ATOM 0 H VAL A 47 -6.424 0.329 8.455 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.959 -2.060 8.235 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.353 0.697 7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.074 -0.515 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.403 -0.769 7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.378 -2.043 6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.476 -0.128 5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.890 -1.637 5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.579 -0.090 6.479 1.00 0.00 H new ATOM 740 N ASP A 48 -3.078 -1.840 9.843 1.00 0.00 N ATOM 741 CA ASP A 48 -1.980 -1.759 10.795 1.00 0.00 C ATOM 742 C ASP A 48 -0.838 -2.655 10.354 1.00 0.00 C ATOM 743 O ASP A 48 -0.999 -3.475 9.445 1.00 0.00 O ATOM 744 CB ASP A 48 -2.467 -2.153 12.198 1.00 0.00 C ATOM 745 CG ASP A 48 -1.366 -2.154 13.242 1.00 0.00 C ATOM 746 OD1 ASP A 48 -1.060 -1.078 13.789 1.00 0.00 O ATOM 747 OD2 ASP A 48 -0.797 -3.234 13.511 1.00 0.00 O ATOM 0 H ASP A 48 -3.396 -2.789 9.649 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.617 -0.732 10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.251 -1.463 12.509 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.915 -3.146 12.153 1.00 0.00 H new ATOM 752 N THR A 49 0.307 -2.496 11.004 1.00 0.00 N ATOM 753 CA THR A 49 1.499 -3.271 10.698 1.00 0.00 C ATOM 754 C THR A 49 1.211 -4.766 10.781 1.00 0.00 C ATOM 755 O THR A 49 1.761 -5.552 10.015 1.00 0.00 O ATOM 756 CB THR A 49 2.642 -2.930 11.671 1.00 0.00 C ATOM 757 OG1 THR A 49 2.430 -1.628 12.239 1.00 0.00 O ATOM 758 CG2 THR A 49 3.986 -2.959 10.957 1.00 0.00 C ATOM 0 H THR A 49 0.434 -1.824 11.760 1.00 0.00 H new ATOM 0 HA THR A 49 1.800 -3.015 9.682 1.00 0.00 H new ATOM 0 HB THR A 49 2.650 -3.678 12.464 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.160 -1.418 12.858 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.779 -2.715 11.664 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.159 -3.954 10.547 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.984 -2.229 10.148 1.00 0.00 H new ATOM 766 N LYS A 50 0.332 -5.144 11.704 1.00 0.00 N ATOM 767 CA LYS A 50 -0.054 -6.537 11.879 1.00 0.00 C ATOM 768 C LYS A 50 -0.642 -7.106 10.590 1.00 0.00 C ATOM 769 O LYS A 50 -0.284 -8.201 10.153 1.00 0.00 O ATOM 770 CB LYS A 50 -1.079 -6.640 13.005 1.00 0.00 C ATOM 771 CG LYS A 50 -0.620 -7.476 14.185 1.00 0.00 C ATOM 772 CD LYS A 50 -0.387 -8.920 13.788 1.00 0.00 C ATOM 773 CE LYS A 50 -0.058 -9.775 14.997 1.00 0.00 C ATOM 774 NZ LYS A 50 0.178 -11.193 14.626 1.00 0.00 N ATOM 0 H LYS A 50 -0.128 -4.499 12.346 1.00 0.00 H new ATOM 0 HA LYS A 50 0.834 -7.116 12.133 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.320 -5.636 13.356 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.999 -7.067 12.606 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.300 -7.057 14.593 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.368 -7.432 14.976 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.276 -9.312 13.293 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.429 -8.975 13.068 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.828 -9.377 15.492 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.877 -9.719 15.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.400 -11.743 15.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.676 -11.581 14.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.976 -11.250 13.961 1.00 0.00 H new ATOM 788 N LEU A 51 -1.531 -6.340 9.978 1.00 0.00 N ATOM 789 CA LEU A 51 -2.160 -6.733 8.732 1.00 0.00 C ATOM 790 C LEU A 51 -1.155 -6.661 7.589 1.00 0.00 C ATOM 791 O LEU A 51 -1.130 -7.516 6.704 1.00 0.00 O ATOM 792 CB LEU A 51 -3.349 -5.813 8.448 1.00 0.00 C ATOM 793 CG LEU A 51 -4.475 -5.861 9.481 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.593 -4.902 9.099 1.00 0.00 C ATOM 795 CD2 LEU A 51 -5.015 -7.277 9.619 1.00 0.00 C ATOM 0 H LEU A 51 -1.834 -5.432 10.331 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.513 -7.761 8.817 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.985 -4.788 8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.762 -6.071 7.473 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.068 -5.551 10.444 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.385 -4.950 9.846 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.201 -3.886 9.051 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.995 -5.181 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.815 -7.291 10.359 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.403 -7.614 8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.213 -7.942 9.940 1.00 0.00 H new ATOM 807 N ILE A 52 -0.319 -5.634 7.631 1.00 0.00 N ATOM 808 CA ILE A 52 0.686 -5.407 6.604 1.00 0.00 C ATOM 809 C ILE A 52 1.714 -6.539 6.561 1.00 0.00 C ATOM 810 O ILE A 52 2.109 -6.987 5.479 1.00 0.00 O ATOM 811 CB ILE A 52 1.390 -4.052 6.839 1.00 0.00 C ATOM 812 CG1 ILE A 52 0.388 -2.915 6.642 1.00 0.00 C ATOM 813 CG2 ILE A 52 2.587 -3.880 5.917 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.945 -1.546 6.960 1.00 0.00 C ATOM 0 H ILE A 52 -0.318 -4.937 8.376 1.00 0.00 H new ATOM 0 HA ILE A 52 0.178 -5.385 5.640 1.00 0.00 H new ATOM 0 HB ILE A 52 1.764 -4.029 7.863 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.041 -2.924 5.609 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.483 -3.098 7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.059 -2.916 6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.306 -4.679 6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.256 -3.922 4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.175 -0.793 6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.265 -1.516 8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.797 -1.340 6.312 1.00 0.00 H new ATOM 826 N MET A 53 2.134 -7.003 7.735 1.00 0.00 N ATOM 827 CA MET A 53 3.085 -8.105 7.834 1.00 0.00 C ATOM 828 C MET A 53 2.494 -9.382 7.257 1.00 0.00 C ATOM 829 O MET A 53 3.154 -10.095 6.508 1.00 0.00 O ATOM 830 CB MET A 53 3.495 -8.345 9.293 1.00 0.00 C ATOM 831 CG MET A 53 4.366 -7.248 9.879 1.00 0.00 C ATOM 832 SD MET A 53 4.777 -7.550 11.608 1.00 0.00 S ATOM 833 CE MET A 53 5.774 -6.108 11.968 1.00 0.00 C ATOM 0 H MET A 53 1.829 -6.631 8.634 1.00 0.00 H new ATOM 0 HA MET A 53 3.969 -7.830 7.258 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.596 -8.444 9.901 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.030 -9.293 9.358 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.285 -7.168 9.298 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.850 -6.292 9.792 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.426 -6.319 12.815 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.380 -5.858 11.097 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.124 -5.268 12.211 1.00 0.00 H new ATOM 843 N LYS A 54 1.238 -9.655 7.589 1.00 0.00 N ATOM 844 CA LYS A 54 0.573 -10.870 7.139 1.00 0.00 C ATOM 845 C LYS A 54 0.504 -10.948 5.617 1.00 0.00 C ATOM 846 O LYS A 54 0.660 -12.025 5.041 1.00 0.00 O ATOM 847 CB LYS A 54 -0.826 -10.969 7.744 1.00 0.00 C ATOM 848 CG LYS A 54 -0.851 -11.669 9.095 1.00 0.00 C ATOM 849 CD LYS A 54 -1.319 -13.118 8.975 1.00 0.00 C ATOM 850 CE LYS A 54 -0.476 -13.927 7.993 1.00 0.00 C ATOM 851 NZ LYS A 54 0.885 -14.215 8.517 1.00 0.00 N ATOM 0 H LYS A 54 0.659 -9.049 8.170 1.00 0.00 H new ATOM 0 HA LYS A 54 1.167 -11.716 7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.238 -9.966 7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.476 -11.506 7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.146 -11.644 9.536 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.512 -11.128 9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.281 -13.591 9.956 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.360 -13.134 8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.983 -14.866 7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.392 -13.380 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.587 -14.053 7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.087 -13.588 9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.934 -15.206 8.829 1.00 0.00 H new ATOM 865 N VAL A 55 0.272 -9.814 4.972 1.00 0.00 N ATOM 866 CA VAL A 55 0.216 -9.769 3.514 1.00 0.00 C ATOM 867 C VAL A 55 1.593 -10.050 2.906 1.00 0.00 C ATOM 868 O VAL A 55 1.720 -10.827 1.962 1.00 0.00 O ATOM 869 CB VAL A 55 -0.291 -8.400 3.004 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.383 -8.394 1.485 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.640 -8.059 3.622 1.00 0.00 C ATOM 0 H VAL A 55 0.120 -8.916 5.430 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.486 -10.542 3.201 1.00 0.00 H new ATOM 0 HB VAL A 55 0.426 -7.638 3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.742 -7.422 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.602 -8.586 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.076 -9.170 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.977 -7.092 3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.367 -8.825 3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.543 -8.016 4.707 1.00 0.00 H new ATOM 881 N LEU A 56 2.616 -9.426 3.473 1.00 0.00 N ATOM 882 CA LEU A 56 3.970 -9.497 2.929 1.00 0.00 C ATOM 883 C LEU A 56 4.678 -10.798 3.294 1.00 0.00 C ATOM 884 O LEU A 56 5.602 -11.216 2.600 1.00 0.00 O ATOM 885 CB LEU A 56 4.797 -8.317 3.428 1.00 0.00 C ATOM 886 CG LEU A 56 4.369 -6.947 2.905 1.00 0.00 C ATOM 887 CD1 LEU A 56 5.284 -5.866 3.452 1.00 0.00 C ATOM 888 CD2 LEU A 56 4.375 -6.928 1.384 1.00 0.00 C ATOM 0 H LEU A 56 2.535 -8.859 4.317 1.00 0.00 H new ATOM 0 HA LEU A 56 3.878 -9.462 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.754 -8.300 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.838 -8.483 3.152 1.00 0.00 H new ATOM 0 HG LEU A 56 3.353 -6.750 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.968 -4.895 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.233 -5.863 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.309 -6.063 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.067 -5.944 1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.380 -7.146 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.682 -7.681 1.008 1.00 0.00 H new ATOM 900 N ASP A 57 4.232 -11.416 4.385 1.00 0.00 N ATOM 901 CA ASP A 57 4.877 -12.601 4.967 1.00 0.00 C ATOM 902 C ASP A 57 5.327 -13.625 3.910 1.00 0.00 C ATOM 903 O ASP A 57 6.513 -13.945 3.834 1.00 0.00 O ATOM 904 CB ASP A 57 3.924 -13.256 5.971 1.00 0.00 C ATOM 905 CG ASP A 57 4.627 -14.152 6.971 1.00 0.00 C ATOM 906 OD1 ASP A 57 5.118 -13.636 7.995 1.00 0.00 O ATOM 907 OD2 ASP A 57 4.647 -15.382 6.761 1.00 0.00 O ATOM 0 H ASP A 57 3.406 -11.109 4.898 1.00 0.00 H new ATOM 0 HA ASP A 57 5.783 -12.263 5.470 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.384 -12.477 6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.182 -13.842 5.428 1.00 0.00 H new ATOM 912 N PRO A 58 4.411 -14.144 3.057 1.00 0.00 N ATOM 913 CA PRO A 58 4.770 -15.149 2.050 1.00 0.00 C ATOM 914 C PRO A 58 5.507 -14.556 0.847 1.00 0.00 C ATOM 915 O PRO A 58 6.100 -15.285 0.053 1.00 0.00 O ATOM 916 CB PRO A 58 3.412 -15.703 1.615 1.00 0.00 C ATOM 917 CG PRO A 58 2.479 -14.558 1.790 1.00 0.00 C ATOM 918 CD PRO A 58 2.967 -13.813 3.002 1.00 0.00 C ATOM 0 HA PRO A 58 5.454 -15.896 2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.434 -16.044 0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.115 -16.556 2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.479 -13.915 0.910 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.456 -14.906 1.931 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.805 -12.739 2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.448 -14.133 3.905 1.00 0.00 H new ATOM 926 N ILE A 59 5.488 -13.235 0.724 1.00 0.00 N ATOM 927 CA ILE A 59 6.039 -12.571 -0.451 1.00 0.00 C ATOM 928 C ILE A 59 7.547 -12.357 -0.310 1.00 0.00 C ATOM 929 O ILE A 59 8.287 -12.469 -1.289 1.00 0.00 O ATOM 930 CB ILE A 59 5.348 -11.214 -0.710 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.825 -11.391 -0.756 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.850 -10.603 -2.012 1.00 0.00 C ATOM 933 CD1 ILE A 59 3.066 -10.098 -0.969 1.00 0.00 C ATOM 0 H ILE A 59 5.098 -12.603 1.422 1.00 0.00 H new ATOM 0 HA ILE A 59 5.852 -13.226 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 59 5.594 -10.537 0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.573 -12.086 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.493 -11.847 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.354 -9.647 -2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.927 -10.447 -1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.629 -11.277 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.996 -10.304 -0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.287 -9.408 -0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.368 -9.650 -1.916 1.00 0.00 H new ATOM 945 N TRP A 60 7.997 -12.068 0.915 1.00 0.00 N ATOM 946 CA TRP A 60 9.424 -11.844 1.181 1.00 0.00 C ATOM 947 C TRP A 60 10.257 -13.056 0.766 1.00 0.00 C ATOM 948 O TRP A 60 11.427 -12.923 0.400 1.00 0.00 O ATOM 949 CB TRP A 60 9.673 -11.551 2.666 1.00 0.00 C ATOM 950 CG TRP A 60 9.087 -10.259 3.156 1.00 0.00 C ATOM 951 CD1 TRP A 60 8.117 -10.110 4.102 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.441 -8.935 2.734 1.00 0.00 C ATOM 953 NE1 TRP A 60 7.847 -8.778 4.297 1.00 0.00 N ATOM 954 CE2 TRP A 60 8.642 -8.038 3.468 1.00 0.00 C ATOM 955 CE3 TRP A 60 10.352 -8.419 1.810 1.00 0.00 C ATOM 956 CZ2 TRP A 60 8.730 -6.658 3.304 1.00 0.00 C ATOM 957 CZ3 TRP A 60 10.436 -7.049 1.650 1.00 0.00 C ATOM 958 CH2 TRP A 60 9.630 -6.183 2.393 1.00 0.00 C ATOM 0 H TRP A 60 7.398 -11.984 1.736 1.00 0.00 H new ATOM 0 HA TRP A 60 9.727 -10.979 0.590 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.262 -12.369 3.258 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.748 -11.538 2.845 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.631 -10.922 4.623 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.164 -8.402 4.954 1.00 0.00 H new ATOM 0 HE3 TRP A 60 10.980 -9.079 1.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 8.108 -5.986 3.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.137 -6.640 0.938 1.00 0.00 H new ATOM 0 HH2 TRP A 60 9.720 -5.117 2.244 1.00 0.00 H new ATOM 969 N GLU A 61 9.646 -14.232 0.839 1.00 0.00 N ATOM 970 CA GLU A 61 10.295 -15.467 0.474 1.00 0.00 C ATOM 971 C GLU A 61 10.663 -15.486 -1.005 1.00 0.00 C ATOM 972 O GLU A 61 11.836 -15.601 -1.368 1.00 0.00 O ATOM 973 CB GLU A 61 9.338 -16.602 0.794 1.00 0.00 C ATOM 974 CG GLU A 61 9.986 -17.779 1.476 1.00 0.00 C ATOM 975 CD GLU A 61 10.700 -18.706 0.513 1.00 0.00 C ATOM 976 OE1 GLU A 61 10.053 -19.642 -0.009 1.00 0.00 O ATOM 977 OE2 GLU A 61 11.907 -18.507 0.271 1.00 0.00 O ATOM 0 H GLU A 61 8.683 -14.347 1.155 1.00 0.00 H new ATOM 0 HA GLU A 61 11.224 -15.574 1.035 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.540 -16.221 1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.873 -16.943 -0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.699 -17.415 2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.225 -18.342 2.016 1.00 0.00 H new ATOM 984 N GLN A 62 9.655 -15.358 -1.855 1.00 0.00 N ATOM 985 CA GLN A 62 9.841 -15.487 -3.275 1.00 0.00 C ATOM 986 C GLN A 62 10.390 -14.204 -3.888 1.00 0.00 C ATOM 987 O GLN A 62 11.440 -14.217 -4.533 1.00 0.00 O ATOM 988 CB GLN A 62 8.515 -15.861 -3.924 1.00 0.00 C ATOM 989 CG GLN A 62 8.686 -16.371 -5.327 1.00 0.00 C ATOM 990 CD GLN A 62 7.376 -16.720 -5.999 1.00 0.00 C ATOM 991 OE1 GLN A 62 6.401 -17.090 -5.344 1.00 0.00 O ATOM 992 NE2 GLN A 62 7.350 -16.620 -7.317 1.00 0.00 N ATOM 0 H GLN A 62 8.694 -15.163 -1.573 1.00 0.00 H new ATOM 0 HA GLN A 62 10.574 -16.273 -3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.021 -16.623 -3.321 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.861 -14.989 -3.935 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.201 -15.616 -5.921 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.325 -17.254 -5.310 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.180 -16.309 -7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.500 -16.854 -7.829 1.00 0.00 H new ATOM 1001 N LYS A 63 9.696 -13.093 -3.670 1.00 0.00 N ATOM 1002 CA LYS A 63 10.064 -11.832 -4.309 1.00 0.00 C ATOM 1003 C LYS A 63 10.028 -10.684 -3.302 1.00 0.00 C ATOM 1004 O LYS A 63 9.066 -9.916 -3.252 1.00 0.00 O ATOM 1005 CB LYS A 63 9.132 -11.533 -5.492 1.00 0.00 C ATOM 1006 CG LYS A 63 9.087 -12.651 -6.529 1.00 0.00 C ATOM 1007 CD LYS A 63 8.211 -12.300 -7.726 1.00 0.00 C ATOM 1008 CE LYS A 63 8.740 -11.093 -8.489 1.00 0.00 C ATOM 1009 NZ LYS A 63 8.009 -10.871 -9.768 1.00 0.00 N ATOM 0 H LYS A 63 8.880 -13.038 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 63 11.082 -11.928 -4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.124 -11.357 -5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.457 -10.612 -5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.099 -12.864 -6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.711 -13.561 -6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.155 -13.157 -8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.196 -12.096 -7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.654 -10.204 -7.864 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.800 -11.234 -8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.403 -10.040 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.112 -11.708 -10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.001 -10.710 -9.568 1.00 0.00 H new ATOM 1023 N PRO A 64 11.086 -10.559 -2.483 1.00 0.00 N ATOM 1024 CA PRO A 64 11.152 -9.553 -1.417 1.00 0.00 C ATOM 1025 C PRO A 64 11.136 -8.121 -1.949 1.00 0.00 C ATOM 1026 O PRO A 64 10.387 -7.276 -1.464 1.00 0.00 O ATOM 1027 CB PRO A 64 12.482 -9.852 -0.716 1.00 0.00 C ATOM 1028 CG PRO A 64 13.287 -10.614 -1.712 1.00 0.00 C ATOM 1029 CD PRO A 64 12.298 -11.398 -2.526 1.00 0.00 C ATOM 0 HA PRO A 64 10.286 -9.613 -0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.988 -8.932 -0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.326 -10.434 0.192 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.866 -9.941 -2.344 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.997 -11.276 -1.216 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.647 -11.549 -3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.119 -12.386 -2.101 1.00 0.00 H new ATOM 1037 N GLU A 65 11.956 -7.856 -2.957 1.00 0.00 N ATOM 1038 CA GLU A 65 12.075 -6.532 -3.522 1.00 0.00 C ATOM 1039 C GLU A 65 10.772 -6.090 -4.182 1.00 0.00 C ATOM 1040 O GLU A 65 10.434 -4.908 -4.179 1.00 0.00 O ATOM 1041 CB GLU A 65 13.231 -6.519 -4.510 1.00 0.00 C ATOM 1042 CG GLU A 65 14.588 -6.675 -3.841 1.00 0.00 C ATOM 1043 CD GLU A 65 15.738 -6.621 -4.824 1.00 0.00 C ATOM 1044 OE1 GLU A 65 15.714 -5.759 -5.727 1.00 0.00 O ATOM 1045 OE2 GLU A 65 16.689 -7.414 -4.678 1.00 0.00 O ATOM 0 H GLU A 65 12.553 -8.555 -3.400 1.00 0.00 H new ATOM 0 HA GLU A 65 12.278 -5.818 -2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.094 -7.324 -5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.213 -5.583 -5.069 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.714 -5.887 -3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.617 -7.625 -3.307 1.00 0.00 H new ATOM 1052 N THR A 66 10.035 -7.045 -4.730 1.00 0.00 N ATOM 1053 CA THR A 66 8.752 -6.751 -5.344 1.00 0.00 C ATOM 1054 C THR A 66 7.722 -6.382 -4.276 1.00 0.00 C ATOM 1055 O THR A 66 6.835 -5.558 -4.509 1.00 0.00 O ATOM 1056 CB THR A 66 8.256 -7.956 -6.156 1.00 0.00 C ATOM 1057 OG1 THR A 66 9.331 -8.471 -6.954 1.00 0.00 O ATOM 1058 CG2 THR A 66 7.093 -7.567 -7.059 1.00 0.00 C ATOM 0 H THR A 66 10.304 -8.028 -4.761 1.00 0.00 H new ATOM 0 HA THR A 66 8.881 -5.903 -6.017 1.00 0.00 H new ATOM 0 HB THR A 66 7.910 -8.720 -5.460 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.156 -8.282 -7.900 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.762 -8.440 -7.622 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.269 -7.194 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.414 -6.789 -7.751 1.00 0.00 H new ATOM 1066 N ALA A 67 7.858 -6.991 -3.101 1.00 0.00 N ATOM 1067 CA ALA A 67 7.005 -6.668 -1.964 1.00 0.00 C ATOM 1068 C ALA A 67 7.206 -5.214 -1.552 1.00 0.00 C ATOM 1069 O ALA A 67 6.248 -4.510 -1.222 1.00 0.00 O ATOM 1070 CB ALA A 67 7.292 -7.599 -0.793 1.00 0.00 C ATOM 0 H ALA A 67 8.553 -7.713 -2.912 1.00 0.00 H new ATOM 0 HA ALA A 67 5.966 -6.807 -2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.644 -7.340 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.103 -8.630 -1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.334 -7.494 -0.492 1.00 0.00 H new ATOM 1076 N SER A 68 8.455 -4.767 -1.588 1.00 0.00 N ATOM 1077 CA SER A 68 8.784 -3.382 -1.285 1.00 0.00 C ATOM 1078 C SER A 68 8.142 -2.444 -2.308 1.00 0.00 C ATOM 1079 O SER A 68 7.629 -1.380 -1.956 1.00 0.00 O ATOM 1080 CB SER A 68 10.301 -3.199 -1.278 1.00 0.00 C ATOM 1081 OG SER A 68 10.924 -4.169 -0.450 1.00 0.00 O ATOM 0 H SER A 68 9.259 -5.347 -1.825 1.00 0.00 H new ATOM 0 HA SER A 68 8.392 -3.135 -0.298 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.686 -3.281 -2.294 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.549 -2.199 -0.923 1.00 0.00 H new ATOM 0 HG SER A 68 11.895 -4.034 -0.461 1.00 0.00 H new ATOM 1087 N ARG A 69 8.149 -2.865 -3.574 1.00 0.00 N ATOM 1088 CA ARG A 69 7.552 -2.095 -4.654 1.00 0.00 C ATOM 1089 C ARG A 69 6.057 -1.890 -4.413 1.00 0.00 C ATOM 1090 O ARG A 69 5.513 -0.812 -4.665 1.00 0.00 O ATOM 1091 CB ARG A 69 7.761 -2.820 -5.985 1.00 0.00 C ATOM 1092 CG ARG A 69 9.211 -2.933 -6.424 1.00 0.00 C ATOM 1093 CD ARG A 69 9.318 -3.652 -7.760 1.00 0.00 C ATOM 1094 NE ARG A 69 10.706 -3.882 -8.159 1.00 0.00 N ATOM 1095 CZ ARG A 69 11.065 -4.444 -9.317 1.00 0.00 C ATOM 1096 NH1 ARG A 69 10.143 -4.793 -10.202 1.00 0.00 N ATOM 1097 NH2 ARG A 69 12.344 -4.659 -9.589 1.00 0.00 N ATOM 0 H ARG A 69 8.568 -3.746 -3.873 1.00 0.00 H new ATOM 0 HA ARG A 69 8.036 -1.119 -4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.340 -3.822 -5.908 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.200 -2.297 -6.760 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.649 -1.938 -6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.783 -3.472 -5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.797 -4.608 -7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.815 -3.064 -8.527 1.00 0.00 H new ATOM 0 HE ARG A 69 11.444 -3.597 -7.515 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.156 -4.633 -10.000 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.420 -5.222 -11.085 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.061 -4.395 -8.913 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.612 -5.088 -10.475 1.00 0.00 H new ATOM 1111 N LEU A 70 5.402 -2.933 -3.921 1.00 0.00 N ATOM 1112 CA LEU A 70 3.974 -2.886 -3.649 1.00 0.00 C ATOM 1113 C LEU A 70 3.683 -2.031 -2.419 1.00 0.00 C ATOM 1114 O LEU A 70 2.689 -1.303 -2.370 1.00 0.00 O ATOM 1115 CB LEU A 70 3.434 -4.304 -3.437 1.00 0.00 C ATOM 1116 CG LEU A 70 1.947 -4.397 -3.079 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.083 -3.877 -4.217 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.569 -5.830 -2.736 1.00 0.00 C ATOM 0 H LEU A 70 5.841 -3.827 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 70 3.477 -2.435 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.608 -4.880 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.011 -4.779 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 70 1.769 -3.773 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.032 -3.953 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.331 -2.834 -4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.266 -4.470 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.509 -5.877 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.767 -6.474 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.159 -6.168 -1.884 1.00 0.00 H new ATOM 1130 N ARG A 71 4.563 -2.116 -1.429 1.00 0.00 N ATOM 1131 CA ARG A 71 4.347 -1.433 -0.165 1.00 0.00 C ATOM 1132 C ARG A 71 4.418 0.082 -0.337 1.00 0.00 C ATOM 1133 O ARG A 71 3.631 0.812 0.266 1.00 0.00 O ATOM 1134 CB ARG A 71 5.364 -1.884 0.884 1.00 0.00 C ATOM 1135 CG ARG A 71 4.932 -1.583 2.314 1.00 0.00 C ATOM 1136 CD ARG A 71 3.924 -2.606 2.831 1.00 0.00 C ATOM 1137 NE ARG A 71 2.781 -2.787 1.928 1.00 0.00 N ATOM 1138 CZ ARG A 71 1.958 -3.843 1.959 1.00 0.00 C ATOM 1139 NH1 ARG A 71 2.098 -4.776 2.893 1.00 0.00 N ATOM 1140 NH2 ARG A 71 0.990 -3.954 1.058 1.00 0.00 N ATOM 0 H ARG A 71 5.430 -2.650 -1.479 1.00 0.00 H new ATOM 0 HA ARG A 71 3.347 -1.697 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.530 -2.956 0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.318 -1.393 0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.807 -1.575 2.964 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.493 -0.586 2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.425 -3.564 2.971 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.562 -2.290 3.809 1.00 0.00 H new ATOM 0 HE ARG A 71 2.602 -2.062 1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.836 -4.691 3.592 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.468 -5.578 2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.874 -3.236 0.343 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.362 -4.758 1.080 1.00 0.00 H new ATOM 1154 N GLY A 72 5.348 0.540 -1.173 1.00 0.00 N ATOM 1155 CA GLY A 72 5.527 1.969 -1.391 1.00 0.00 C ATOM 1156 C GLY A 72 4.284 2.633 -1.954 1.00 0.00 C ATOM 1157 O GLY A 72 3.989 3.791 -1.637 1.00 0.00 O ATOM 0 H GLY A 72 5.983 -0.054 -1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.794 2.446 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.361 2.127 -2.075 1.00 0.00 H new ATOM 1161 N ARG A 73 3.548 1.902 -2.784 1.00 0.00 N ATOM 1162 CA ARG A 73 2.315 2.417 -3.365 1.00 0.00 C ATOM 1163 C ARG A 73 1.267 2.629 -2.276 1.00 0.00 C ATOM 1164 O ARG A 73 0.672 3.700 -2.171 1.00 0.00 O ATOM 1165 CB ARG A 73 1.777 1.458 -4.432 1.00 0.00 C ATOM 1166 CG ARG A 73 2.736 1.211 -5.586 1.00 0.00 C ATOM 1167 CD ARG A 73 2.108 0.316 -6.641 1.00 0.00 C ATOM 1168 NE ARG A 73 3.043 -0.011 -7.718 1.00 0.00 N ATOM 1169 CZ ARG A 73 2.717 -0.723 -8.800 1.00 0.00 C ATOM 1170 NH1 ARG A 73 1.470 -1.143 -8.973 1.00 0.00 N ATOM 1171 NH2 ARG A 73 3.640 -0.997 -9.714 1.00 0.00 N ATOM 0 H ARG A 73 3.784 0.952 -3.069 1.00 0.00 H new ATOM 0 HA ARG A 73 2.533 3.374 -3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.539 0.504 -3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.844 1.859 -4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.021 2.162 -6.035 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.649 0.749 -5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.760 -0.605 -6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.232 0.811 -7.061 1.00 0.00 H new ATOM 0 HE ARG A 73 4.003 0.325 -7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.757 -0.922 -8.278 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.225 -1.686 -9.801 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.596 -0.664 -9.589 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.393 -1.541 -10.541 1.00 0.00 H new ATOM 1185 N ILE A 74 1.072 1.609 -1.449 1.00 0.00 N ATOM 1186 CA ILE A 74 0.096 1.666 -0.364 1.00 0.00 C ATOM 1187 C ILE A 74 0.490 2.714 0.677 1.00 0.00 C ATOM 1188 O ILE A 74 -0.370 3.398 1.233 1.00 0.00 O ATOM 1189 CB ILE A 74 -0.092 0.283 0.298 1.00 0.00 C ATOM 1190 CG1 ILE A 74 -0.724 -0.679 -0.713 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.948 0.387 1.554 1.00 0.00 C ATOM 1192 CD1 ILE A 74 -1.099 -2.025 -0.136 1.00 0.00 C ATOM 0 H ILE A 74 1.580 0.726 -1.509 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.859 1.961 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 74 0.883 -0.101 0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.617 -0.214 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.028 -0.831 -1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.063 -0.602 1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.465 1.053 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.929 0.785 1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.539 -2.645 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.207 -2.514 0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.821 -1.887 0.669 1.00 0.00 H new ATOM 1204 N GLU A 75 1.791 2.840 0.927 1.00 0.00 N ATOM 1205 CA GLU A 75 2.311 3.859 1.841 1.00 0.00 C ATOM 1206 C GLU A 75 1.785 5.237 1.456 1.00 0.00 C ATOM 1207 O GLU A 75 1.291 5.988 2.300 1.00 0.00 O ATOM 1208 CB GLU A 75 3.840 3.877 1.792 1.00 0.00 C ATOM 1209 CG GLU A 75 4.478 4.903 2.715 1.00 0.00 C ATOM 1210 CD GLU A 75 5.946 5.126 2.404 1.00 0.00 C ATOM 1211 OE1 GLU A 75 6.785 4.340 2.884 1.00 0.00 O ATOM 1212 OE2 GLU A 75 6.262 6.089 1.670 1.00 0.00 O ATOM 0 H GLU A 75 2.508 2.248 0.509 1.00 0.00 H new ATOM 0 HA GLU A 75 1.979 3.615 2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.213 2.887 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.158 4.077 0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.943 5.849 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.374 4.572 3.748 1.00 0.00 H new ATOM 1219 N SER A 76 1.874 5.543 0.170 1.00 0.00 N ATOM 1220 CA SER A 76 1.416 6.818 -0.355 1.00 0.00 C ATOM 1221 C SER A 76 -0.097 6.972 -0.184 1.00 0.00 C ATOM 1222 O SER A 76 -0.587 8.056 0.126 1.00 0.00 O ATOM 1223 CB SER A 76 1.810 6.935 -1.826 1.00 0.00 C ATOM 1224 OG SER A 76 3.209 6.730 -1.992 1.00 0.00 O ATOM 0 H SER A 76 2.264 4.917 -0.535 1.00 0.00 H new ATOM 0 HA SER A 76 1.892 7.621 0.207 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.258 6.202 -2.414 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.535 7.920 -2.204 1.00 0.00 H new ATOM 0 HG SER A 76 3.411 5.774 -1.917 1.00 0.00 H new ATOM 1230 N VAL A 77 -0.828 5.873 -0.362 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.280 5.885 -0.201 1.00 0.00 C ATOM 1232 C VAL A 77 -2.660 6.163 1.252 1.00 0.00 C ATOM 1233 O VAL A 77 -3.491 7.030 1.533 1.00 0.00 O ATOM 1234 CB VAL A 77 -2.909 4.546 -0.638 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.421 4.582 -0.482 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.530 4.214 -2.072 1.00 0.00 C ATOM 0 H VAL A 77 -0.439 4.965 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.666 6.680 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.517 3.763 0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.842 3.627 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.675 4.764 0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.832 5.380 -1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.985 3.266 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.887 5.002 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.446 4.135 -2.153 1.00 0.00 H new ATOM 1246 N LEU A 78 -2.030 5.433 2.169 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.305 5.578 3.596 1.00 0.00 C ATOM 1248 C LEU A 78 -1.948 6.977 4.084 1.00 0.00 C ATOM 1249 O LEU A 78 -2.639 7.542 4.933 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.524 4.536 4.405 1.00 0.00 C ATOM 1251 CG LEU A 78 -1.905 3.079 4.141 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -1.064 2.148 4.998 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.386 2.851 4.410 1.00 0.00 C ATOM 0 H LEU A 78 -1.323 4.732 1.948 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.373 5.419 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.462 4.660 4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.665 4.744 5.466 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.710 2.860 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.347 1.115 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.010 2.288 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.231 2.373 6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.635 1.808 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.608 3.089 5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.977 3.493 3.757 1.00 0.00 H new ATOM 1265 N ASP A 79 -0.870 7.526 3.540 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.409 8.856 3.921 1.00 0.00 C ATOM 1267 C ASP A 79 -1.405 9.918 3.469 1.00 0.00 C ATOM 1268 O ASP A 79 -1.798 10.789 4.246 1.00 0.00 O ATOM 1269 CB ASP A 79 0.967 9.126 3.312 1.00 0.00 C ATOM 1270 CG ASP A 79 1.502 10.501 3.652 1.00 0.00 C ATOM 1271 OD1 ASP A 79 1.889 10.722 4.816 1.00 0.00 O ATOM 1272 OD2 ASP A 79 1.553 11.361 2.745 1.00 0.00 O ATOM 0 H ASP A 79 -0.296 7.070 2.831 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.330 8.900 5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.669 8.371 3.665 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.906 9.023 2.229 1.00 0.00 H new ATOM 1277 N TRP A 80 -1.828 9.815 2.213 1.00 0.00 N ATOM 1278 CA TRP A 80 -2.822 10.723 1.649 1.00 0.00 C ATOM 1279 C TRP A 80 -4.122 10.665 2.446 1.00 0.00 C ATOM 1280 O TRP A 80 -4.710 11.697 2.777 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.076 10.353 0.184 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.237 11.065 -0.447 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.249 12.332 -0.952 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -5.552 10.536 -0.656 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -5.495 12.625 -1.457 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.311 11.537 -1.288 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.158 9.310 -0.368 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -7.646 11.350 -1.634 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -7.481 9.126 -0.712 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.214 10.141 -1.341 1.00 0.00 C ATOM 0 H TRP A 80 -1.494 9.105 1.561 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.441 11.743 1.703 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.177 10.569 -0.393 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.246 9.278 0.118 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.405 13.006 -0.955 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.767 13.509 -1.887 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -5.601 8.521 0.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.213 12.132 -2.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -7.960 8.183 -0.493 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.248 9.965 -1.599 1.00 0.00 H new ATOM 1301 N ALA A 81 -4.555 9.452 2.759 1.00 0.00 N ATOM 1302 CA ALA A 81 -5.785 9.241 3.511 1.00 0.00 C ATOM 1303 C ALA A 81 -5.710 9.883 4.892 1.00 0.00 C ATOM 1304 O ALA A 81 -6.712 10.381 5.405 1.00 0.00 O ATOM 1305 CB ALA A 81 -6.074 7.755 3.634 1.00 0.00 C ATOM 0 H ALA A 81 -4.069 8.593 2.502 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.599 9.719 2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.995 7.609 4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.185 7.322 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.250 7.266 4.153 1.00 0.00 H new ATOM 1311 N THR A 82 -4.522 9.876 5.483 1.00 0.00 N ATOM 1312 CA THR A 82 -4.318 10.477 6.794 1.00 0.00 C ATOM 1313 C THR A 82 -4.540 11.987 6.731 1.00 0.00 C ATOM 1314 O THR A 82 -5.182 12.570 7.605 1.00 0.00 O ATOM 1315 CB THR A 82 -2.899 10.191 7.331 1.00 0.00 C ATOM 1316 OG1 THR A 82 -2.632 8.785 7.273 1.00 0.00 O ATOM 1317 CG2 THR A 82 -2.747 10.674 8.765 1.00 0.00 C ATOM 0 H THR A 82 -3.685 9.460 5.075 1.00 0.00 H new ATOM 0 HA THR A 82 -5.044 10.030 7.473 1.00 0.00 H new ATOM 0 HB THR A 82 -2.187 10.730 6.707 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.563 8.503 6.337 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.738 10.459 9.116 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.925 11.749 8.808 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.469 10.161 9.400 1.00 0.00 H new ATOM 1325 N VAL A 83 -4.017 12.610 5.680 1.00 0.00 N ATOM 1326 CA VAL A 83 -4.164 14.046 5.487 1.00 0.00 C ATOM 1327 C VAL A 83 -5.619 14.399 5.191 1.00 0.00 C ATOM 1328 O VAL A 83 -6.148 15.390 5.694 1.00 0.00 O ATOM 1329 CB VAL A 83 -3.274 14.548 4.328 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -3.383 16.061 4.170 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -1.827 14.129 4.542 1.00 0.00 C ATOM 0 H VAL A 83 -3.486 12.140 4.947 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.850 14.535 6.409 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.630 14.089 3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.747 16.388 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.417 16.331 3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.063 16.547 5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.217 14.492 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.460 14.552 5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.766 13.042 4.588 1.00 0.00 H new ATOM 1341 N ARG A 84 -6.263 13.564 4.382 1.00 0.00 N ATOM 1342 CA ARG A 84 -7.646 13.794 3.976 1.00 0.00 C ATOM 1343 C ARG A 84 -8.625 13.551 5.123 1.00 0.00 C ATOM 1344 O ARG A 84 -9.717 14.115 5.143 1.00 0.00 O ATOM 1345 CB ARG A 84 -8.006 12.902 2.788 1.00 0.00 C ATOM 1346 CG ARG A 84 -7.276 13.268 1.507 1.00 0.00 C ATOM 1347 CD ARG A 84 -7.609 14.684 1.060 1.00 0.00 C ATOM 1348 NE ARG A 84 -9.052 14.898 0.955 1.00 0.00 N ATOM 1349 CZ ARG A 84 -9.706 15.055 -0.193 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -9.048 15.055 -1.349 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -11.021 15.229 -0.180 1.00 0.00 N ATOM 0 H ARG A 84 -5.847 12.718 3.993 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.729 14.841 3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.780 11.866 3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.080 12.961 2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.201 13.178 1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.545 12.564 0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.187 15.397 1.768 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.142 14.879 0.095 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.593 14.929 1.819 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.035 14.934 -1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.556 15.176 -2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.525 15.242 0.707 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.528 15.350 -1.057 1.00 0.00 H new ATOM 1365 N GLY A 85 -8.235 12.714 6.075 1.00 0.00 N ATOM 1366 CA GLY A 85 -9.081 12.459 7.228 1.00 0.00 C ATOM 1367 C GLY A 85 -9.841 11.150 7.123 1.00 0.00 C ATOM 1368 O GLY A 85 -10.654 10.823 7.992 1.00 0.00 O ATOM 0 H GLY A 85 -7.350 12.207 6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.466 12.445 8.128 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.791 13.278 7.340 1.00 0.00 H new ATOM 1372 N TYR A 86 -9.568 10.389 6.066 1.00 0.00 N ATOM 1373 CA TYR A 86 -10.224 9.100 5.864 1.00 0.00 C ATOM 1374 C TYR A 86 -9.705 8.077 6.868 1.00 0.00 C ATOM 1375 O TYR A 86 -10.395 7.116 7.212 1.00 0.00 O ATOM 1376 CB TYR A 86 -10.009 8.594 4.434 1.00 0.00 C ATOM 1377 CG TYR A 86 -10.685 9.442 3.379 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -12.059 9.626 3.387 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -9.949 10.059 2.378 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -12.683 10.399 2.425 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -10.564 10.835 1.413 1.00 0.00 C ATOM 1382 CZ TYR A 86 -11.930 11.003 1.440 1.00 0.00 C ATOM 1383 OH TYR A 86 -12.546 11.776 0.481 1.00 0.00 O ATOM 0 H TYR A 86 -8.899 10.642 5.338 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.294 9.237 6.021 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.939 8.558 4.228 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.382 7.572 4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.653 9.157 4.158 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.877 9.931 2.352 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.755 10.529 2.445 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.975 11.308 0.641 1.00 0.00 H new ATOM 0 HH TYR A 86 -11.872 12.129 -0.137 1.00 0.00 H new ATOM 1393 N ARG A 87 -8.486 8.293 7.330 1.00 0.00 N ATOM 1394 CA ARG A 87 -7.895 7.463 8.362 1.00 0.00 C ATOM 1395 C ARG A 87 -6.966 8.313 9.211 1.00 0.00 C ATOM 1396 O ARG A 87 -6.409 9.301 8.728 1.00 0.00 O ATOM 1397 CB ARG A 87 -7.117 6.291 7.755 1.00 0.00 C ATOM 1398 CG ARG A 87 -5.911 6.719 6.932 1.00 0.00 C ATOM 1399 CD ARG A 87 -5.065 5.530 6.511 1.00 0.00 C ATOM 1400 NE ARG A 87 -4.513 4.818 7.662 1.00 0.00 N ATOM 1401 CZ ARG A 87 -3.292 5.033 8.155 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -2.487 5.925 7.586 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -2.872 4.358 9.217 1.00 0.00 N ATOM 0 H ARG A 87 -7.881 9.046 7.001 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.694 7.051 8.978 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.783 5.633 8.558 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.788 5.709 7.124 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.248 7.257 6.046 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.302 7.411 7.513 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.671 4.846 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.251 5.872 5.871 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.096 4.115 8.115 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.802 6.448 6.769 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.554 6.086 7.966 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.483 3.672 9.660 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.938 4.525 9.591 1.00 0.00 H new ATOM 1417 N GLU A 88 -6.814 7.950 10.470 1.00 0.00 N ATOM 1418 CA GLU A 88 -5.910 8.662 11.354 1.00 0.00 C ATOM 1419 C GLU A 88 -5.003 7.689 12.093 1.00 0.00 C ATOM 1420 O GLU A 88 -5.295 6.493 12.185 1.00 0.00 O ATOM 1421 CB GLU A 88 -6.692 9.530 12.340 1.00 0.00 C ATOM 1422 CG GLU A 88 -7.485 10.639 11.665 1.00 0.00 C ATOM 1423 CD GLU A 88 -8.196 11.536 12.651 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -9.315 11.186 13.081 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -7.639 12.599 13.003 1.00 0.00 O ATOM 0 H GLU A 88 -7.304 7.167 10.904 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.284 9.316 10.747 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.375 8.898 12.908 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.998 9.972 13.055 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.812 11.240 11.054 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.218 10.196 10.990 1.00 0.00 H new ATOM 1432 N GLY A 89 -3.902 8.207 12.607 1.00 0.00 N ATOM 1433 CA GLY A 89 -2.913 7.373 13.249 1.00 0.00 C ATOM 1434 C GLY A 89 -1.529 7.679 12.732 1.00 0.00 C ATOM 1435 O GLY A 89 -1.068 8.818 12.831 1.00 0.00 O ATOM 0 H GLY A 89 -3.674 9.201 12.590 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.945 7.529 14.327 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.147 6.323 13.072 1.00 0.00 H new ATOM 1439 N ASP A 90 -0.875 6.677 12.170 1.00 0.00 N ATOM 1440 CA ASP A 90 0.433 6.861 11.550 1.00 0.00 C ATOM 1441 C ASP A 90 0.474 6.059 10.251 1.00 0.00 C ATOM 1442 O ASP A 90 -0.567 5.635 9.754 1.00 0.00 O ATOM 1443 CB ASP A 90 1.551 6.414 12.505 1.00 0.00 C ATOM 1444 CG ASP A 90 2.895 7.073 12.205 1.00 0.00 C ATOM 1445 OD1 ASP A 90 3.578 6.650 11.246 1.00 0.00 O ATOM 1446 OD2 ASP A 90 3.276 8.011 12.932 1.00 0.00 O ATOM 0 H ASP A 90 -1.228 5.721 12.129 1.00 0.00 H new ATOM 0 HA ASP A 90 0.592 7.917 11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.260 6.646 13.529 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.662 5.331 12.443 1.00 0.00 H new ATOM 1451 N ASN A 91 1.654 5.854 9.701 1.00 0.00 N ATOM 1452 CA ASN A 91 1.801 5.071 8.486 1.00 0.00 C ATOM 1453 C ASN A 91 2.603 3.807 8.763 1.00 0.00 C ATOM 1454 O ASN A 91 3.826 3.802 8.641 1.00 0.00 O ATOM 1455 CB ASN A 91 2.464 5.889 7.376 1.00 0.00 C ATOM 1456 CG ASN A 91 1.516 6.164 6.225 1.00 0.00 C ATOM 1457 OD1 ASN A 91 0.306 6.298 6.417 1.00 0.00 O ATOM 1458 ND2 ASN A 91 2.055 6.231 5.019 1.00 0.00 N ATOM 0 H ASN A 91 2.529 6.219 10.076 1.00 0.00 H new ATOM 0 HA ASN A 91 0.804 4.789 8.146 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.819 6.834 7.786 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.338 5.354 7.005 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.464 6.399 4.205 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.062 6.115 4.903 1.00 0.00 H new ATOM 1465 N PRO A 92 1.926 2.722 9.177 1.00 0.00 N ATOM 1466 CA PRO A 92 2.586 1.460 9.553 1.00 0.00 C ATOM 1467 C PRO A 92 3.249 0.753 8.368 1.00 0.00 C ATOM 1468 O PRO A 92 3.936 -0.252 8.535 1.00 0.00 O ATOM 1469 CB PRO A 92 1.438 0.613 10.109 1.00 0.00 C ATOM 1470 CG PRO A 92 0.209 1.164 9.476 1.00 0.00 C ATOM 1471 CD PRO A 92 0.457 2.636 9.312 1.00 0.00 C ATOM 0 HA PRO A 92 3.398 1.628 10.260 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.570 -0.441 9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.387 0.682 11.196 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.019 0.690 8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.667 0.982 10.099 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.051 3.034 8.434 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.098 3.202 10.172 1.00 0.00 H new ATOM 1479 N ALA A 93 3.036 1.281 7.169 1.00 0.00 N ATOM 1480 CA ALA A 93 3.646 0.722 5.971 1.00 0.00 C ATOM 1481 C ALA A 93 4.945 1.447 5.643 1.00 0.00 C ATOM 1482 O ALA A 93 5.598 1.157 4.642 1.00 0.00 O ATOM 1483 CB ALA A 93 2.681 0.811 4.799 1.00 0.00 C ATOM 0 H ALA A 93 2.445 2.095 7.001 1.00 0.00 H new ATOM 0 HA ALA A 93 3.875 -0.327 6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.149 0.390 3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.774 0.252 5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.427 1.855 4.615 1.00 0.00 H new ATOM 1489 N ARG A 94 5.309 2.392 6.498 1.00 0.00 N ATOM 1490 CA ARG A 94 6.486 3.224 6.282 1.00 0.00 C ATOM 1491 C ARG A 94 7.726 2.550 6.869 1.00 0.00 C ATOM 1492 O ARG A 94 8.770 2.462 6.211 1.00 0.00 O ATOM 1493 CB ARG A 94 6.258 4.591 6.935 1.00 0.00 C ATOM 1494 CG ARG A 94 7.203 5.688 6.476 1.00 0.00 C ATOM 1495 CD ARG A 94 6.866 6.998 7.171 1.00 0.00 C ATOM 1496 NE ARG A 94 7.606 8.136 6.628 1.00 0.00 N ATOM 1497 CZ ARG A 94 7.206 9.402 6.746 1.00 0.00 C ATOM 1498 NH1 ARG A 94 6.096 9.689 7.419 1.00 0.00 N ATOM 1499 NH2 ARG A 94 7.923 10.380 6.202 1.00 0.00 N ATOM 0 H ARG A 94 4.801 2.604 7.357 1.00 0.00 H new ATOM 0 HA ARG A 94 6.648 3.357 5.212 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.234 4.907 6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.351 4.481 8.015 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.233 5.406 6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.130 5.812 5.396 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.797 7.188 7.078 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.082 6.905 8.235 1.00 0.00 H new ATOM 0 HE ARG A 94 8.477 7.951 6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.550 8.940 7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.790 10.658 7.509 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.780 10.162 5.694 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.616 11.349 6.293 1.00 0.00 H new ATOM 1513 N TRP A 95 7.587 2.058 8.102 1.00 0.00 N ATOM 1514 CA TRP A 95 8.667 1.376 8.818 1.00 0.00 C ATOM 1515 C TRP A 95 9.855 2.293 9.100 1.00 0.00 C ATOM 1516 O TRP A 95 9.856 3.475 8.759 1.00 0.00 O ATOM 1517 CB TRP A 95 9.143 0.132 8.060 1.00 0.00 C ATOM 1518 CG TRP A 95 8.458 -1.131 8.485 1.00 0.00 C ATOM 1519 CD1 TRP A 95 8.521 -1.718 9.715 1.00 0.00 C ATOM 1520 CD2 TRP A 95 7.624 -1.972 7.682 1.00 0.00 C ATOM 1521 NE1 TRP A 95 7.777 -2.872 9.728 1.00 0.00 N ATOM 1522 CE2 TRP A 95 7.214 -3.050 8.493 1.00 0.00 C ATOM 1523 CE3 TRP A 95 7.181 -1.919 6.357 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 6.384 -4.064 8.022 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 6.357 -2.926 5.891 1.00 0.00 C ATOM 1526 CH2 TRP A 95 5.967 -3.987 6.723 1.00 0.00 C ATOM 0 H TRP A 95 6.719 2.122 8.634 1.00 0.00 H new ATOM 0 HA TRP A 95 8.246 1.071 9.776 1.00 0.00 H new ATOM 0 HB2 TRP A 95 8.979 0.283 6.993 1.00 0.00 H new ATOM 0 HB3 TRP A 95 10.217 0.018 8.204 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.076 -1.331 10.557 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.663 -3.495 10.527 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.477 -1.107 5.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.081 -4.881 8.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.007 -2.896 4.870 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.323 -4.759 6.328 1.00 0.00 H new ATOM 1537 N ARG A 96 10.859 1.719 9.749 1.00 0.00 N ATOM 1538 CA ARG A 96 12.089 2.421 10.083 1.00 0.00 C ATOM 1539 C ARG A 96 13.291 1.650 9.550 1.00 0.00 C ATOM 1540 O ARG A 96 14.402 1.751 10.075 1.00 0.00 O ATOM 1541 CB ARG A 96 12.192 2.594 11.600 1.00 0.00 C ATOM 1542 CG ARG A 96 11.526 1.477 12.390 1.00 0.00 C ATOM 1543 CD ARG A 96 11.615 1.713 13.889 1.00 0.00 C ATOM 1544 NE ARG A 96 12.877 1.235 14.452 1.00 0.00 N ATOM 1545 CZ ARG A 96 13.560 1.869 15.403 1.00 0.00 C ATOM 1546 NH1 ARG A 96 13.195 3.086 15.793 1.00 0.00 N ATOM 1547 NH2 ARG A 96 14.630 1.296 15.938 1.00 0.00 N ATOM 0 H ARG A 96 10.842 0.748 10.060 1.00 0.00 H new ATOM 0 HA ARG A 96 12.077 3.407 9.619 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.244 2.648 11.880 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.739 3.545 11.880 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.479 1.399 12.096 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.998 0.526 12.143 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.509 2.778 14.094 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.785 1.209 14.384 1.00 0.00 H new ATOM 0 HE ARG A 96 13.259 0.360 14.093 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.388 3.539 15.363 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.722 3.567 16.522 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.927 0.373 15.621 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.156 1.778 16.667 1.00 0.00 H new ATOM 1561 N GLY A 97 13.058 0.902 8.481 1.00 0.00 N ATOM 1562 CA GLY A 97 14.092 0.063 7.910 1.00 0.00 C ATOM 1563 C GLY A 97 13.596 -1.346 7.665 1.00 0.00 C ATOM 1564 O GLY A 97 13.685 -1.856 6.544 1.00 0.00 O ATOM 0 H GLY A 97 12.162 0.862 7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.435 0.497 6.971 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.950 0.035 8.581 1.00 0.00 H new ATOM 1568 N TYR A 98 13.057 -1.958 8.723 1.00 0.00 N ATOM 1569 CA TYR A 98 12.524 -3.322 8.685 1.00 0.00 C ATOM 1570 C TYR A 98 13.633 -4.340 8.412 1.00 0.00 C ATOM 1571 O TYR A 98 14.132 -4.987 9.334 1.00 0.00 O ATOM 1572 CB TYR A 98 11.397 -3.439 7.648 1.00 0.00 C ATOM 1573 CG TYR A 98 10.753 -4.808 7.586 1.00 0.00 C ATOM 1574 CD1 TYR A 98 10.056 -5.322 8.673 1.00 0.00 C ATOM 1575 CD2 TYR A 98 10.837 -5.585 6.439 1.00 0.00 C ATOM 1576 CE1 TYR A 98 9.465 -6.569 8.619 1.00 0.00 C ATOM 1577 CE2 TYR A 98 10.248 -6.834 6.378 1.00 0.00 C ATOM 1578 CZ TYR A 98 9.564 -7.321 7.471 1.00 0.00 C ATOM 1579 OH TYR A 98 8.970 -8.561 7.414 1.00 0.00 O ATOM 0 H TYR A 98 12.978 -1.516 9.639 1.00 0.00 H new ATOM 0 HA TYR A 98 12.104 -3.546 9.665 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.630 -2.699 7.876 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.796 -3.192 6.664 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.975 -4.736 9.576 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.371 -5.207 5.580 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.928 -6.952 9.474 1.00 0.00 H new ATOM 0 HE2 TYR A 98 10.323 -7.426 5.478 1.00 0.00 H new ATOM 0 HH TYR A 98 8.620 -8.715 6.512 1.00 0.00 H new ATOM 1589 N LEU A 99 14.028 -4.464 7.157 1.00 0.00 N ATOM 1590 CA LEU A 99 15.097 -5.373 6.785 1.00 0.00 C ATOM 1591 C LEU A 99 16.446 -4.702 6.986 1.00 0.00 C ATOM 1592 O LEU A 99 17.287 -5.208 7.727 1.00 0.00 O ATOM 1593 CB LEU A 99 14.946 -5.823 5.329 1.00 0.00 C ATOM 1594 CG LEU A 99 13.742 -6.722 5.041 1.00 0.00 C ATOM 1595 CD1 LEU A 99 13.673 -7.058 3.560 1.00 0.00 C ATOM 1596 CD2 LEU A 99 13.808 -7.995 5.876 1.00 0.00 C ATOM 0 H LEU A 99 13.623 -3.945 6.377 1.00 0.00 H new ATOM 0 HA LEU A 99 15.037 -6.253 7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 99 14.875 -4.937 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 99 15.852 -6.353 5.034 1.00 0.00 H new ATOM 0 HG LEU A 99 12.836 -6.181 5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.811 -7.698 3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 99 13.575 -6.139 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 99 14.583 -7.578 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.942 -8.620 5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 99 14.720 -8.541 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 99 13.808 -7.736 6.935 1.00 0.00 H new ATOM 1608 N GLU A 100 16.628 -3.555 6.331 1.00 0.00 N ATOM 1609 CA GLU A 100 17.884 -2.804 6.389 1.00 0.00 C ATOM 1610 C GLU A 100 19.054 -3.701 5.969 1.00 0.00 C ATOM 1611 O GLU A 100 20.157 -3.624 6.511 1.00 0.00 O ATOM 1612 CB GLU A 100 18.097 -2.223 7.797 1.00 0.00 C ATOM 1613 CG GLU A 100 19.265 -1.250 7.893 1.00 0.00 C ATOM 1614 CD GLU A 100 19.301 -0.492 9.205 1.00 0.00 C ATOM 1615 OE1 GLU A 100 19.305 -1.136 10.275 1.00 0.00 O ATOM 1616 OE2 GLU A 100 19.326 0.759 9.165 1.00 0.00 O ATOM 0 H GLU A 100 15.913 -3.121 5.747 1.00 0.00 H new ATOM 0 HA GLU A 100 17.833 -1.969 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 100 17.186 -1.714 8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 100 18.261 -3.043 8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 100 20.199 -1.799 7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 100 19.205 -0.538 7.070 1.00 0.00 H new ATOM 1623 N HIS A 101 18.804 -4.541 4.971 1.00 0.00 N ATOM 1624 CA HIS A 101 19.814 -5.468 4.485 1.00 0.00 C ATOM 1625 C HIS A 101 20.859 -4.731 3.668 1.00 0.00 C ATOM 1626 O HIS A 101 20.650 -4.431 2.491 1.00 0.00 O ATOM 1627 CB HIS A 101 19.185 -6.586 3.645 1.00 0.00 C ATOM 1628 CG HIS A 101 18.535 -7.667 4.450 1.00 0.00 C ATOM 1629 ND1 HIS A 101 18.390 -8.959 3.993 1.00 0.00 N ATOM 1630 CD2 HIS A 101 17.972 -7.644 5.682 1.00 0.00 C ATOM 1631 CE1 HIS A 101 17.767 -9.681 4.905 1.00 0.00 C ATOM 1632 NE2 HIS A 101 17.502 -8.907 5.938 1.00 0.00 N ATOM 0 H HIS A 101 17.910 -4.598 4.484 1.00 0.00 H new ATOM 0 HA HIS A 101 20.294 -5.922 5.352 1.00 0.00 H new ATOM 0 HB2 HIS A 101 18.442 -6.149 2.977 1.00 0.00 H new ATOM 0 HB3 HIS A 101 19.957 -7.031 3.016 1.00 0.00 H new ATOM 0 HD2 HIS A 101 17.906 -6.790 6.340 1.00 0.00 H new ATOM 0 HE1 HIS A 101 17.517 -10.728 4.819 1.00 0.00 H new ATOM 0 HE2 HIS A 101 17.024 -9.200 6.790 1.00 0.00 H new ATOM 1641 N HIS A 102 21.964 -4.403 4.314 1.00 0.00 N ATOM 1642 CA HIS A 102 23.096 -3.798 3.637 1.00 0.00 C ATOM 1643 C HIS A 102 24.191 -4.830 3.465 1.00 0.00 C ATOM 1644 O HIS A 102 24.828 -5.242 4.435 1.00 0.00 O ATOM 1645 CB HIS A 102 23.621 -2.586 4.412 1.00 0.00 C ATOM 1646 CG HIS A 102 22.701 -1.408 4.363 1.00 0.00 C ATOM 1647 ND1 HIS A 102 22.163 -0.823 5.486 1.00 0.00 N ATOM 1648 CD2 HIS A 102 22.229 -0.702 3.309 1.00 0.00 C ATOM 1649 CE1 HIS A 102 21.397 0.188 5.126 1.00 0.00 C ATOM 1650 NE2 HIS A 102 21.420 0.282 3.811 1.00 0.00 N ATOM 0 H HIS A 102 22.101 -4.547 5.314 1.00 0.00 H new ATOM 0 HA HIS A 102 22.770 -3.448 2.657 1.00 0.00 H new ATOM 0 HB2 HIS A 102 23.781 -2.870 5.452 1.00 0.00 H new ATOM 0 HB3 HIS A 102 24.591 -2.297 4.008 1.00 0.00 H new ATOM 0 HD2 HIS A 102 22.449 -0.881 2.267 1.00 0.00 H new ATOM 0 HE1 HIS A 102 20.844 0.831 5.795 1.00 0.00 H new ATOM 0 HE2 HIS A 102 20.917 0.975 3.257 1.00 0.00 H new ATOM 1659 N HIS A 103 24.382 -5.269 2.236 1.00 0.00 N ATOM 1660 CA HIS A 103 25.361 -6.293 1.946 1.00 0.00 C ATOM 1661 C HIS A 103 26.086 -5.965 0.654 1.00 0.00 C ATOM 1662 O HIS A 103 25.464 -5.663 -0.361 1.00 0.00 O ATOM 1663 CB HIS A 103 24.680 -7.657 1.844 1.00 0.00 C ATOM 1664 CG HIS A 103 25.613 -8.807 2.042 1.00 0.00 C ATOM 1665 ND1 HIS A 103 25.750 -9.452 3.249 1.00 0.00 N ATOM 1666 CD2 HIS A 103 26.452 -9.430 1.186 1.00 0.00 C ATOM 1667 CE1 HIS A 103 26.634 -10.421 3.129 1.00 0.00 C ATOM 1668 NE2 HIS A 103 27.076 -10.430 1.886 1.00 0.00 N ATOM 0 H HIS A 103 23.870 -4.930 1.422 1.00 0.00 H new ATOM 0 HA HIS A 103 26.089 -6.329 2.756 1.00 0.00 H new ATOM 0 HB2 HIS A 103 23.884 -7.713 2.587 1.00 0.00 H new ATOM 0 HB3 HIS A 103 24.209 -7.746 0.865 1.00 0.00 H new ATOM 0 HD2 HIS A 103 26.603 -9.186 0.145 1.00 0.00 H new ATOM 0 HE1 HIS A 103 26.944 -11.094 3.915 1.00 0.00 H new ATOM 0 HE2 HIS A 103 27.769 -11.076 1.508 1.00 0.00 H new ATOM 1677 N HIS A 104 27.404 -6.006 0.701 1.00 0.00 N ATOM 1678 CA HIS A 104 28.218 -5.689 -0.460 1.00 0.00 C ATOM 1679 C HIS A 104 28.882 -6.951 -0.994 1.00 0.00 C ATOM 1680 O HIS A 104 29.566 -7.662 -0.253 1.00 0.00 O ATOM 1681 CB HIS A 104 29.274 -4.633 -0.108 1.00 0.00 C ATOM 1682 CG HIS A 104 28.713 -3.268 0.164 1.00 0.00 C ATOM 1683 ND1 HIS A 104 29.204 -2.121 -0.423 1.00 0.00 N ATOM 1684 CD2 HIS A 104 27.704 -2.865 0.975 1.00 0.00 C ATOM 1685 CE1 HIS A 104 28.523 -1.079 0.012 1.00 0.00 C ATOM 1686 NE2 HIS A 104 27.605 -1.500 0.862 1.00 0.00 N ATOM 0 H HIS A 104 27.937 -6.257 1.534 1.00 0.00 H new ATOM 0 HA HIS A 104 27.572 -5.278 -1.236 1.00 0.00 H new ATOM 0 HB2 HIS A 104 29.827 -4.967 0.770 1.00 0.00 H new ATOM 0 HB3 HIS A 104 29.989 -4.563 -0.928 1.00 0.00 H new ATOM 0 HD2 HIS A 104 27.091 -3.501 1.596 1.00 0.00 H new ATOM 0 HE1 HIS A 104 28.689 -0.052 -0.279 1.00 0.00 H new ATOM 0 HE2 HIS A 104 26.934 -0.910 1.353 1.00 0.00 H new ATOM 1695 N HIS A 105 28.655 -7.233 -2.270 1.00 0.00 N ATOM 1696 CA HIS A 105 29.216 -8.416 -2.920 1.00 0.00 C ATOM 1697 C HIS A 105 30.731 -8.320 -3.039 1.00 0.00 C ATOM 1698 O HIS A 105 31.295 -7.224 -3.090 1.00 0.00 O ATOM 1699 CB HIS A 105 28.621 -8.606 -4.318 1.00 0.00 C ATOM 1700 CG HIS A 105 27.203 -9.078 -4.325 1.00 0.00 C ATOM 1701 ND1 HIS A 105 26.160 -8.333 -4.835 1.00 0.00 N ATOM 1702 CD2 HIS A 105 26.662 -10.243 -3.911 1.00 0.00 C ATOM 1703 CE1 HIS A 105 25.042 -9.022 -4.731 1.00 0.00 C ATOM 1704 NE2 HIS A 105 25.319 -10.186 -4.175 1.00 0.00 N ATOM 0 H HIS A 105 28.081 -6.654 -2.883 1.00 0.00 H new ATOM 0 HA HIS A 105 28.961 -9.272 -2.295 1.00 0.00 H new ATOM 0 HB2 HIS A 105 28.679 -7.660 -4.856 1.00 0.00 H new ATOM 0 HB3 HIS A 105 29.233 -9.323 -4.866 1.00 0.00 H new ATOM 0 HD2 HIS A 105 27.190 -11.068 -3.456 1.00 0.00 H new ATOM 0 HE1 HIS A 105 24.064 -8.690 -5.047 1.00 0.00 H new ATOM 0 HE2 HIS A 105 24.643 -10.923 -3.974 1.00 0.00 H new ATOM 1713 N HIS A 106 31.378 -9.474 -3.083 1.00 0.00 N ATOM 1714 CA HIS A 106 32.810 -9.552 -3.303 1.00 0.00 C ATOM 1715 C HIS A 106 33.146 -10.790 -4.116 1.00 0.00 C ATOM 1716 O HIS A 106 33.617 -10.636 -5.261 1.00 0.00 O ATOM 1717 CB HIS A 106 33.574 -9.570 -1.981 1.00 0.00 C ATOM 1718 CG HIS A 106 34.368 -8.325 -1.752 1.00 0.00 C ATOM 1719 ND1 HIS A 106 34.419 -7.679 -0.540 1.00 0.00 N ATOM 1720 CD2 HIS A 106 35.157 -7.610 -2.590 1.00 0.00 C ATOM 1721 CE1 HIS A 106 35.201 -6.620 -0.640 1.00 0.00 C ATOM 1722 NE2 HIS A 106 35.663 -6.556 -1.873 1.00 0.00 N ATOM 1723 OXT HIS A 106 32.906 -11.907 -3.620 1.00 0.00 O ATOM 0 H HIS A 106 30.925 -10.380 -2.967 1.00 0.00 H new ATOM 0 HA HIS A 106 33.115 -8.664 -3.857 1.00 0.00 H new ATOM 0 HB2 HIS A 106 32.868 -9.701 -1.161 1.00 0.00 H new ATOM 0 HB3 HIS A 106 34.244 -10.430 -1.966 1.00 0.00 H new ATOM 0 HD2 HIS A 106 35.351 -7.829 -3.629 1.00 0.00 H new ATOM 0 HE1 HIS A 106 35.425 -5.923 0.155 1.00 0.00 H new ATOM 0 HE2 HIS A 106 36.293 -5.840 -2.234 1.00 0.00 H new TER 1732 HIS A 106